N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide

C91H143N21O24 — CID 160565812

IUPACN-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CC(O)C(O)NC(=O)C(=C)C.C=C(C)C(=O)NCCN(CCNC(=O)C(=C)C)CCNC(=O)C(=C)C.C=CC(=O)NCC(O)Cn1c(=O)n(CC(O)CNC(=O)C=C)c(=O)n(CC(O)CNC(=O)C=C)c1=O.C=CC(=O)NCCCN(C)CCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C
InChIInChI=1S/C21H30N6O9.C18H30N4O3.C15H24N4O3.C13H19N3O3.C13H23N3O2.C11H17NO4/c1-4-16(31)22-7-13(28)10-25-19(34)26(11-14(29)8-23-17(32)5-2)21(36)27(20(25)35)12-15(30)9-24-18(33)6-3;1-13(2)16(23)19-7-10-22(11-8-20-17(24)14(3)4)12-9-21-18(25)15(5)6;1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;1-4-12(17)14-8-6-10-16(3)11-7-9-15-13(18)5-2;1-6(2)8(13)5-9(14)11(16)12-10(15)7(3)4/h4-6,13-15,28-30H,1-3,7-12H2,(H,22,31)(H,23,32)(H,24,33);1,3,5,7-12H2,2,4,6H3,(H,19,23)(H,20,24)(H,21,25);4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);4-5H,1-2,6-11H2,3H3,(H,14,17)(H,15,18);9,11,14,16H,1,3,5H2,2,4H3,(H,12,15)
InChIKeyQZXCQRKECIBXLM-UHFFFAOYSA-N
MW1915.27 g/mol
LogP-5.48
Rot. Bonds64

About N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide

N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (PubChem CID 160565812) has the molecular formula C91H143N21O24 and a molecular weight of 1915.27 g/mol. Its IUPAC name is N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
PubChem CID160565812
Molecular FormulaC91H143N21O24
Molecular Weight1915.27 g/mol
Exact Mass1914.06
IUPAC NameN-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CC(O)C(O)NC(=O)C(=C)C.C=C(C)C(=O)NCCN(CCNC(=O)C(=C)C)CCNC(=O)C(=C)C.C=CC(=O)NCC(O)Cn1c(=O)n(CC(O)CNC(=O)C=C)c(=O)n(CC(O)CNC(=O)C=C)c1=O.C=CC(=O)NCCCN(C)CCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C
InChIInChI=1S/C21H30N6O9.C18H30N4O3.C15H24N4O3.C13H19N3O3.C13H23N3O2.C11H17NO4/c1-4-16(31)22-7-13(28)10-25-19(34)26(11-14(29)8-23-17(32)5-2)21(36)27(20(25)35)12-15(30)9-24-18(33)6-3;1-13(2)16(23)19-7-10-22(11-8-20-17(24)14(3)4)12-9-21-18(25)15(5)6;1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;1-4-12(17)14-8-6-10-16(3)11-7-9-15-13(18)5-2;1-6(2)8(13)5-9(14)11(16)12-10(15)7(3)4/h4-6,13-15,28-30H,1-3,7-12H2,(H,22,31)(H,23,32)(H,24,33);1,3,5,7-12H2,2,4,6H3,(H,19,23)(H,20,24)(H,21,25);4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);4-5H,1-2,6-11H2,3H3,(H,14,17)(H,15,18);9,11,14,16H,1,3,5H2,2,4H3,(H,12,15)
InChIKeyQZXCQRKECIBXLM-UHFFFAOYSA-N
XLogP-5.48
TPSA621.65 Ų
H-Bond Donors19
H-Bond Acceptors30
Rotatable Bonds64
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.27
LogP ≤ 5-5.48
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)prop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 158749921
N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-[1-hexoxy-2-(hexoxymethyl)-3-(5-oxohept-6-enoxy)propan-2-yl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
CID 158903209
N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[2-[buta-1,3-dien-2-yl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
CID 161702066

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (CID 160565812) is N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide is C=C(C)C(=O)CC(O)C(O)NC(=O)C(=C)C.C=C(C)C(=O)NCCN(CCNC(=O)C(=C)C)CCNC(=O)C(=C)C.C=CC(=O)NCC(O)Cn1c(=O)n(CC(O)CNC(=O)C=C)c(=O)n(CC(O)CNC(=O)C=C)c1=O.C=CC(=O)NCCCN(C)CCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C.
What is the InChIKey of N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The InChIKey is QZXCQRKECIBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O9.C18H30N4O3.C15H24N4O3.C13H19N3O3.C13H23N3O2.C11H17NO4/c1-4-16(31)22-7-13(28)10-25-19(34)26(11-14(29)8-23-17(32)5-2)21(36)27(20(25)35)12-15(30)9-24-18(33)6-3;1-13(2)16(23)19-7-10-22(11-8-20-17(24)14(3)4)12-9-21-18(25)15(5)6;1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;1-4-12(17)14-8-6-10-16(3)11-7-9-15-13(18)5-2;1-6(2)8(13)5-9(14)11(16)12-10(15)7(3)4/h4-6,13-15,28-30H,1-3,7-12H2,(H,22,31)(H,23,32)(H,24,33);1,3,5,7-12H2,2,4,6H3,(H,19,23)(H,20,24)(H,21,25);4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);4-5H,1-2,6-11H2,3H3,(H,14,17)(H,15,18);9,11,14,16H,1,3,5H2,2,4H3,(H,12,15).
What are the key properties of N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide has a molecular weight of 1915.27 g/mol, XLogP of -5.48, 64 rotatable bonds, 19 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 160565812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).