N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C32H41N3O4 — CID 143130976

About N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 143130976) has the molecular formula C32H41N3O4 and a molecular weight of 531.70 g/mol. Its IUPAC name is N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 143130976
• Molecular Formula: C32H41N3O4
• Molecular Weight: 531.70 g/mol
• Exact Mass: 531.31
• IUPAC Name: N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: COc1ccc(CN2C(=O)c3cc4oc(C)cc4n3CC2(C(=O)NC2CCCCCC2)C2CCCCC2)cc1
• InChI: InChI=1S/C32H41N3O4/c1-22-18-27-29(39-22)19-28-30(36)35(20-23-14-16-26(38-2)17-15-23)32(21-34(27)28,24-10-6-5-7-11-24)31(37)33-25-12-8-3-4-9-13-25/h14-19,24-25H,3-13,20-21H2,1-2H3,(H,33,37)
• InChIKey: IZRQHHQVMMBRIA-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.70
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 143130976) is N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COc1ccc(CN2C(=O)c3cc4oc(C)cc4n3CC2(C(=O)NC2CCCCCC2)C2CCCCC2)cc1.

What is the InChIKey of N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is IZRQHHQVMMBRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O4/c1-22-18-27-29(39-22)19-28-30(36)35(20-23-14-16-26(38-2)17-15-23)32(21-34(27)28,24-10-6-5-7-11-24)31(37)33-25-12-8-3-4-9-13-25/h14-19,24-25H,3-13,20-21H2,1-2H3,(H,33,37).

What are the key properties of N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 531.70 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-11-cyclohexyl-10-[(4-methoxyphenyl)methyl]-4-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 143130976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).