N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide

C30H36N2O5 — CID 143555910

About N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide

N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide (PubChem CID 143555910) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide
• PubChem CID: 143555910
• Molecular Formula: C30H36N2O5
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.26
• IUPAC Name: N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide
• SMILES: COc1ccc2c(c1)-c1cc3c(cc1C(C)(C(=O)NC1CCCCCC1)N(C1CC1)C2=O)OCCCO3
• InChI: InChI=1S/C30H36N2O5/c1-30(29(34)31-19-8-5-3-4-6-9-19)25-18-27-26(36-14-7-15-37-27)17-24(25)23-16-21(35-2)12-13-22(23)28(33)32(30)20-10-11-20/h12-13,16-20H,3-11,14-15H2,1-2H3,(H,31,34)
• InChIKey: XSRGNLGLGZVDFM-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide?

The IUPAC name of N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide (CID 143555910) is N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide.

What is the SMILES notation for N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide?

The canonical SMILES for N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide is COc1ccc2c(c1)-c1cc3c(cc1C(C)(C(=O)NC1CCCCCC1)N(C1CC1)C2=O)OCCCO3.

What is the InChIKey of N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide?

The InChIKey is XSRGNLGLGZVDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-30(29(34)31-19-8-5-3-4-6-9-19)25-18-27-26(36-14-7-15-37-27)17-24(25)23-16-21(35-2)12-13-22(23)28(33)32(30)20-10-11-20/h12-13,16-20H,3-11,14-15H2,1-2H3,(H,31,34).

What are the key properties of N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide?

N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-9-cyclopropyl-4-methoxy-10-methyl-8-oxo-14,18-dioxa-9-azatetracyclo[9.9.0.02,7.013,19]icosa-1(20),2(7),3,5,11,13(19)-hexaene-10-carboxamide is sourced from PubChem (CID 143555910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).