(4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

C141H164N28O23 — CID 162248682

IUPAC(4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
SMILESCCC(CC)(CCC#N)COC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(C)c2)c1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OC(COC(C)C)CN(CCC#N)CC(C)C)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OC(COCc3ccco3)CN(CCC#N)CC(C)C)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OCCC#N)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OCCN(C)CCC#N)c2)ccc1-c1cnco1
InChIInChI=1S/C34H40N6O6.C32H42N6O5.C28H33N5O4.C25H28N6O4.C22H21N5O4/c1-24(2)19-40(13-6-12-35)20-30(22-43-21-29-9-5-14-44-29)46-34(42)37-17-26-7-4-8-27(16-26)38-33(41)39-28-10-11-31(25(3)15-28)32-18-36-23-45-32;1-22(2)18-38(13-7-12-33)19-28(20-41-23(3)4)43-32(40)35-16-25-8-6-9-26(15-25)36-31(39)37-27-10-11-29(24(5)14-27)30-17-34-21-42-30;1-4-28(5-2,12-7-13-29)18-36-27(35)31-16-21-8-6-9-22(15-21)32-26(34)33-23-10-11-24(20(3)14-23)25-17-30-19-37-25;1-18-13-21(7-8-22(18)23-16-27-17-35-23)30-24(32)29-20-6-3-5-19(14-20)15-28-25(33)34-12-11-31(2)10-4-9-26;1-15-10-18(6-7-19(15)20-13-24-14-31-20)27-21(28)26-17-5-2-4-16(11-17)12-25-22(29)30-9-3-8-23/h4-5,7-11,14-16,18,23-24,30H,6,13,17,19-22H2,1-3H3,(H,37,42)(H2,38,39,41);6,8-11,14-15,17,21-23,28H,7,13,16,18-20H2,1-5H3,(H,35,40)(H2,36,37,39);6,8-11,14-15,17,19H,4-5,7,12,16,18H2,1-3H3,(H,31,35)(H2,32,33,34);3,5-8,13-14,16-17H,4,10-12,15H2,1-2H3,(H,28,33)(H2,29,30,32);2,4-7,10-11,13-14H,3,9,12H2,1H3,(H,25,29)(H2,26,27,28)
InChIKeyZXRONEFBANNSEY-UHFFFAOYSA-N
MW2619.04 g/mol
LogP28.19
Rot. Bonds59

About (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

(4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (PubChem CID 162248682) has the molecular formula C141H164N28O23 and a molecular weight of 2619.04 g/mol. Its IUPAC name is (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Name(4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
PubChem CID162248682
Molecular FormulaC141H164N28O23
Molecular Weight2619.04 g/mol
Exact Mass2617.25
IUPAC Name(4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
SMILESCCC(CC)(CCC#N)COC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(C)c2)c1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OC(COC(C)C)CN(CCC#N)CC(C)C)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OC(COCc3ccco3)CN(CCC#N)CC(C)C)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OCCC#N)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OCCN(C)CCC#N)c2)ccc1-c1cnco1
InChIInChI=1S/C34H40N6O6.C32H42N6O5.C28H33N5O4.C25H28N6O4.C22H21N5O4/c1-24(2)19-40(13-6-12-35)20-30(22-43-21-29-9-5-14-44-29)46-34(42)37-17-26-7-4-8-27(16-26)38-33(41)39-28-10-11-31(25(3)15-28)32-18-36-23-45-32;1-22(2)18-38(13-7-12-33)19-28(20-41-23(3)4)43-32(40)35-16-25-8-6-9-26(15-25)36-31(39)37-27-10-11-29(24(5)14-27)30-17-34-21-42-30;1-4-28(5-2,12-7-13-29)18-36-27(35)31-16-21-8-6-9-22(15-21)32-26(34)33-23-10-11-24(20(3)14-23)25-17-30-19-37-25;1-18-13-21(7-8-22(18)23-16-27-17-35-23)30-24(32)29-20-6-3-5-19(14-20)15-28-25(33)34-12-11-31(2)10-4-9-26;1-15-10-18(6-7-19(15)20-13-24-14-31-20)27-21(28)26-17-5-2-4-16(11-17)12-25-22(29)30-9-3-8-23/h4-5,7-11,14-16,18,23-24,30H,6,13,17,19-22H2,1-3H3,(H,37,42)(H2,38,39,41);6,8-11,14-15,17,21-23,28H,7,13,16,18-20H2,1-5H3,(H,35,40)(H2,36,37,39);6,8-11,14-15,17,19H,4-5,7,12,16,18H2,1-3H3,(H,31,35)(H2,32,33,34);3,5-8,13-14,16-17H,4,10-12,15H2,1-2H3,(H,28,33)(H2,29,30,32);2,4-7,10-11,13-14H,3,9,12H2,1H3,(H,25,29)(H2,26,27,28)
InChIKeyZXRONEFBANNSEY-UHFFFAOYSA-N
XLogP28.19
TPSA687.72 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds59
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002619.04
LogP ≤ 528.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate with MolForge

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Related Compounds

[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 11764771
[(2S)-1-[furan-2-ylmethyl(methyl)amino]propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925030
[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[(3-methoxy-4-methylphenyl)carbamoylamino]phenyl]methyl]carbamate
CID 18343055
1-aminobutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 23546200
[(2R)-1-hydroxybutan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925007
1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343082
[1-cyano-3-[ethyl(methyl)amino]propan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 71063366
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
CID 10074535
1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
[(2R)-3-cyano-2-(dimethylamino)propyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925009
[3-[2-methylpropyl(propyl)amino]-1-phenylpropyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2,2,2-trifluoroacetic acid
CID 162333606
[(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 58644817

Frequently Asked Questions

What is the IUPAC name of (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The IUPAC name of (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (CID 162248682) is (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.
What is the SMILES notation for (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The canonical SMILES for (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is CCC(CC)(CCC#N)COC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(C)c2)c1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OC(COC(C)C)CN(CCC#N)CC(C)C)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OC(COCc3ccco3)CN(CCC#N)CC(C)C)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OCCC#N)c2)ccc1-c1cnco1.Cc1cc(NC(=O)Nc2cccc(CNC(=O)OCCN(C)CCC#N)c2)ccc1-c1cnco1.
What is the InChIKey of (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The InChIKey is ZXRONEFBANNSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O6.C32H42N6O5.C28H33N5O4.C25H28N6O4.C22H21N5O4/c1-24(2)19-40(13-6-12-35)20-30(22-43-21-29-9-5-14-44-29)46-34(42)37-17-26-7-4-8-27(16-26)38-33(41)39-28-10-11-31(25(3)15-28)32-18-36-23-45-32;1-22(2)18-38(13-7-12-33)19-28(20-41-23(3)4)43-32(40)35-16-25-8-6-9-26(15-25)36-31(39)37-27-10-11-29(24(5)14-27)30-17-34-21-42-30;1-4-28(5-2,12-7-13-29)18-36-27(35)31-16-21-8-6-9-22(15-21)32-26(34)33-23-10-11-24(20(3)14-23)25-17-30-19-37-25;1-18-13-21(7-8-22(18)23-16-27-17-35-23)30-24(32)29-20-6-3-5-19(14-20)15-28-25(33)34-12-11-31(2)10-4-9-26;1-15-10-18(6-7-19(15)20-13-24-14-31-20)27-21(28)26-17-5-2-4-16(11-17)12-25-22(29)30-9-3-8-23/h4-5,7-11,14-16,18,23-24,30H,6,13,17,19-22H2,1-3H3,(H,37,42)(H2,38,39,41);6,8-11,14-15,17,21-23,28H,7,13,16,18-20H2,1-5H3,(H,35,40)(H2,36,37,39);6,8-11,14-15,17,19H,4-5,7,12,16,18H2,1-3H3,(H,31,35)(H2,32,33,34);3,5-8,13-14,16-17H,4,10-12,15H2,1-2H3,(H,28,33)(H2,29,30,32);2,4-7,10-11,13-14H,3,9,12H2,1H3,(H,25,29)(H2,26,27,28).
What are the key properties of (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
(4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate has a molecular weight of 2619.04 g/mol, XLogP of 28.19, 59 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-2,2-diethylbutyl) N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-[2-cyanoethyl(methyl)amino]ethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;2-cyanoethyl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;[1-[2-cyanoethyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 162248682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).