N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide

C70H106N12O14 — CID 157221292

About N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide

N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide (PubChem CID 157221292) has the molecular formula C70H106N12O14 and a molecular weight of 1339.69 g/mol. Its IUPAC name is N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide
• PubChem CID: 157221292
• Molecular Formula: C70H106N12O14
• Molecular Weight: 1339.69 g/mol
• Exact Mass: 1338.80
• IUPAC Name: N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide
• SMILES: C=CC(=O)CCCCN(CCCCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCN(CCCC(O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C
• InChI: InChI=1S/C23H35N3O4.C19H29N3O4.C15H23N3O3.C13H19N3O3/c1-5-20(27)14-9-10-16-25(22(29)7-3)17-11-12-18-26(23(30)8-4)19-13-15-24-21(28)6-2;1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-4-13(19)16-9-7-11-18(15(21)6-3)12-8-10-17-14(20)5-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2/h5-8H,1-4,9-19H2,(H,24,28);5-8,16,23H,1-4,9-15H2,(H,20,24);4-6H,1-3,7-12H2,(H,16,19)(H,17,20);4-6H,1-3,7-10H2,(H,14,17)(H,15,18)
• InChIKey: ATADLTZRSDJSQM-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 333.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 52
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1339.69
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide?

The IUPAC name of N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide (CID 157221292) is N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide.

What is the SMILES notation for N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide?

The canonical SMILES for N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide is C=CC(=O)CCCCN(CCCCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCN(CCCC(O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.

What is the InChIKey of N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide?

The InChIKey is ATADLTZRSDJSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4.C19H29N3O4.C15H23N3O3.C13H19N3O3/c1-5-20(27)14-9-10-16-25(22(29)7-3)17-11-12-18-26(23(30)8-4)19-13-15-24-21(28)6-2;1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-4-13(19)16-9-7-11-18(15(21)6-3)12-8-10-17-14(20)5-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2/h5-8H,1-4,9-19H2,(H,24,28);5-8,16,23H,1-4,9-15H2,(H,20,24);4-6H,1-3,7-12H2,(H,16,19)(H,17,20);4-6H,1-3,7-10H2,(H,14,17)(H,15,18).

What are the key properties of N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide?

N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide has a molecular weight of 1339.69 g/mol, XLogP of 3.05, 52 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide is sourced from PubChem (CID 157221292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).