bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane

C160H242N20O40 — CID 159224795

IUPACbis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane
SMILESCC.CC.CC.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccc(C)cc1)C(=O)OC(C)(C)C.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)OC(C)(C)C.CC(=O)CCC(NC(=O)NC(CCCCNC(=O)Nc1ccccc1)C(C)=O)C(C)=O.COc1ccc(COC(=O)CCC(NC(=O)NC(CCCCNC(=O)Nc2ccccc2)C(=O)OCc2ccc(OC)cc2OC)C(=O)OCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C46H56N4O14.2C29H46N4O7.C28H44N4O7.C22H32N4O5.3C2H6/c1-56-34-18-15-30(39(24-34)59-4)27-62-42(51)22-21-38(44(53)64-29-32-17-20-36(58-3)26-41(32)61-6)50-46(55)49-37(14-10-11-23-47-45(54)48-33-12-8-7-9-13-33)43(52)63-28-31-16-19-35(57-2)25-40(31)60-5;1-19-13-9-10-14-21(19)31-26(37)30-18-12-11-15-23(25(36)40-29(6,7)8)33-27(38)32-22(20(2)34)16-17-24(35)39-28(3,4)5;1-19-12-14-21(15-13-19)31-26(37)30-18-10-9-11-23(25(36)40-29(6,7)8)33-27(38)32-22(20(2)34)16-17-24(35)39-28(3,4)5;1-19(33)21(16-17-23(34)38-27(2,3)4)31-26(37)32-22(24(35)39-28(5,6)7)15-11-12-18-29-25(36)30-20-13-9-8-10-14-20;1-15(27)12-13-20(17(3)29)26-22(31)25-19(16(2)28)11-7-8-14-23-21(30)24-18-9-5-4-6-10-18;3*1-2/h7-9,12-13,15-20,24-26,37-38H,10-11,14,21-23,27-29H2,1-6H3,(H2,47,48,54)(H2,49,50,55);9-10,13-14,22-23H,11-12,15-18H2,1-8H3,(H2,30,31,37)(H2,32,33,38);12-15,22-23H,9-11,16-18H2,1-8H3,(H2,30,31,37)(H2,32,33,38);8-10,13-14,21-22H,11-12,15-18H2,1-7H3,(H2,29,30,36)(H2,31,32,37);4-6,9-10,19-20H,7-8,11-14H2,1-3H3,(H2,23,24,30)(H2,25,26,31);3*1-2H3
InChIKeyKSDOBESDSHMENS-UHFFFAOYSA-N
MW3085.80 g/mol
LogP24.54
Rot. Bonds77

About bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane

bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane (PubChem CID 159224795) has the molecular formula C160H242N20O40 and a molecular weight of 3085.80 g/mol. Its IUPAC name is bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane.

Molecular Properties

Compound Namebis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane
PubChem CID159224795
Molecular FormulaC160H242N20O40
Molecular Weight3085.80 g/mol
Exact Mass3083.75
IUPAC Namebis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane
SMILESCC.CC.CC.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccc(C)cc1)C(=O)OC(C)(C)C.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)OC(C)(C)C.CC(=O)CCC(NC(=O)NC(CCCCNC(=O)Nc1ccccc1)C(C)=O)C(C)=O.COc1ccc(COC(=O)CCC(NC(=O)NC(CCCCNC(=O)Nc2ccccc2)C(=O)OCc2ccc(OC)cc2OC)C(=O)OCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C46H56N4O14.2C29H46N4O7.C28H44N4O7.C22H32N4O5.3C2H6/c1-56-34-18-15-30(39(24-34)59-4)27-62-42(51)22-21-38(44(53)64-29-32-17-20-36(58-3)26-41(32)61-6)50-46(55)49-37(14-10-11-23-47-45(54)48-33-12-8-7-9-13-33)43(52)63-28-31-16-19-35(57-2)25-40(31)60-5;1-19-13-9-10-14-21(19)31-26(37)30-18-12-11-15-23(25(36)40-29(6,7)8)33-27(38)32-22(20(2)34)16-17-24(35)39-28(3,4)5;1-19-12-14-21(15-13-19)31-26(37)30-18-10-9-11-23(25(36)40-29(6,7)8)33-27(38)32-22(20(2)34)16-17-24(35)39-28(3,4)5;1-19(33)21(16-17-23(34)38-27(2,3)4)31-26(37)32-22(24(35)39-28(5,6)7)15-11-12-18-29-25(36)30-20-13-9-8-10-14-20;1-15(27)12-13-20(17(3)29)26-22(31)25-19(16(2)28)11-7-8-14-23-21(30)24-18-9-5-4-6-10-18;3*1-2/h7-9,12-13,15-20,24-26,37-38H,10-11,14,21-23,27-29H2,1-6H3,(H2,47,48,54)(H2,49,50,55);9-10,13-14,22-23H,11-12,15-18H2,1-8H3,(H2,30,31,37)(H2,32,33,38);12-15,22-23H,9-11,16-18H2,1-8H3,(H2,30,31,37)(H2,32,33,38);8-10,13-14,21-22H,11-12,15-18H2,1-7H3,(H2,29,30,36)(H2,31,32,37);4-6,9-10,19-20H,7-8,11-14H2,1-3H3,(H2,23,24,30)(H2,25,26,31);3*1-2H3
InChIKeyKSDOBESDSHMENS-UHFFFAOYSA-N
XLogP24.54
TPSA805.80 Ų
H-Bond Donors20
H-Bond Acceptors40
Rotatable Bonds77
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003085.80
LogP ≤ 524.54
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate
CID 58099945
ditert-butyl 2-[[6-[(3-(125I)iodophenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 134838156
ditert-butyl (2S)-2-[[6-[(3-iodophenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 44520089
ditert-butyl (2S)-2-[[(3S)-7-[[(2S)-2-amino-3-(2-iodophenyl)propanoyl]amino]-2-oxoheptan-3-yl]carbamoylamino]pentanedioate
CID 170086551
ditert-butyl (2S)-2-[[(2S)-6-[[(2R)-2-amino-3-(4-methoxynaphthalen-2-yl)propanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 155588226
ditert-butyl (2S)-2-[[(2S)-6-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 155588243
ditert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]pentanedioate;sulfane
CID 165064031
ditert-butyl (2S)-2-[[(2S)-6-[[(2R)-3-(4-methoxynaphthalen-2-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 155588123
ditert-butyl (2S)-2-[[(2S)-6-[[(2S)-2-[[2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 155588137
ditert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 121295139
ditert-butyl (2S)-2-[[(2S)-6-[[(2R)-2-amino-3-isoquinolin-6-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 155588033
1-[5-(methylamino)-6-oxoheptyl]-3-(2-methylphenyl)urea
CID 123643800

Frequently Asked Questions

What is the IUPAC name of bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane?
The IUPAC name of bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane (CID 159224795) is bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane.
What is the SMILES notation for bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane?
The canonical SMILES for bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane is CC.CC.CC.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccc(C)cc1)C(=O)OC(C)(C)C.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccccc1)C(=O)OC(C)(C)C.CC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)OC(C)(C)C.CC(=O)CCC(NC(=O)NC(CCCCNC(=O)Nc1ccccc1)C(C)=O)C(C)=O.COc1ccc(COC(=O)CCC(NC(=O)NC(CCCCNC(=O)Nc2ccccc2)C(=O)OCc2ccc(OC)cc2OC)C(=O)OCc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane?
The InChIKey is KSDOBESDSHMENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56N4O14.2C29H46N4O7.C28H44N4O7.C22H32N4O5.3C2H6/c1-56-34-18-15-30(39(24-34)59-4)27-62-42(51)22-21-38(44(53)64-29-32-17-20-36(58-3)26-41(32)61-6)50-46(55)49-37(14-10-11-23-47-45(54)48-33-12-8-7-9-13-33)43(52)63-28-31-16-19-35(57-2)25-40(31)60-5;1-19-13-9-10-14-21(19)31-26(37)30-18-12-11-15-23(25(36)40-29(6,7)8)33-27(38)32-22(20(2)34)16-17-24(35)39-28(3,4)5;1-19-12-14-21(15-13-19)31-26(37)30-18-10-9-11-23(25(36)40-29(6,7)8)33-27(38)32-22(20(2)34)16-17-24(35)39-28(3,4)5;1-19(33)21(16-17-23(34)38-27(2,3)4)31-26(37)32-22(24(35)39-28(5,6)7)15-11-12-18-29-25(36)30-20-13-9-8-10-14-20;1-15(27)12-13-20(17(3)29)26-22(31)25-19(16(2)28)11-7-8-14-23-21(30)24-18-9-5-4-6-10-18;3*1-2/h7-9,12-13,15-20,24-26,37-38H,10-11,14,21-23,27-29H2,1-6H3,(H2,47,48,54)(H2,49,50,55);9-10,13-14,22-23H,11-12,15-18H2,1-8H3,(H2,30,31,37)(H2,32,33,38);12-15,22-23H,9-11,16-18H2,1-8H3,(H2,30,31,37)(H2,32,33,38);8-10,13-14,21-22H,11-12,15-18H2,1-7H3,(H2,29,30,36)(H2,31,32,37);4-6,9-10,19-20H,7-8,11-14H2,1-3H3,(H2,23,24,30)(H2,25,26,31);3*1-2H3.
What are the key properties of bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane?
bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane has a molecular weight of 3085.80 g/mol, XLogP of 24.54, 77 rotatable bonds, 20 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,4-dimethoxyphenyl)methyl] 2-[[1-[(2,4-dimethoxyphenyl)methoxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]pentanedioate;tert-butyl 4-[[6-[(2-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[6-[(4-methylphenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-oxohexanoate;tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylcarbamoylamino)hexan-2-yl]carbamoylamino]-5-oxohexanoate;1-(2,6-dioxoheptan-3-yl)-3-[2-oxo-7-(phenylcarbamoylamino)heptan-3-yl]urea;ethane is sourced from PubChem (CID 159224795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).