1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide

C21H37N3O3 — CID 67944163

IUPAC1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide
SMILESNC(=O)CCCCCCC1(C(=O)NC2CCCCC(=O)N2)CCCCCC1
InChIInChI=1S/C21H37N3O3/c22-17(25)11-5-1-2-8-14-21(15-9-3-4-10-16-21)20(27)24-18-12-6-7-13-19(26)23-18/h18H,1-16H2,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyJPJXTQFOGJXOKS-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.29
Rot. Bonds9

About 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide

1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide (PubChem CID 67944163) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide
PubChem CID67944163
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide
SMILESNC(=O)CCCCCCC1(C(=O)NC2CCCCC(=O)N2)CCCCCC1
InChIInChI=1S/C21H37N3O3/c22-17(25)11-5-1-2-8-14-21(15-9-3-4-10-16-21)20(27)24-18-12-6-7-13-19(26)23-18/h18H,1-16H2,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyJPJXTQFOGJXOKS-UHFFFAOYSA-N
XLogP3.29
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide (CID 67944163) is 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide is NC(=O)CCCCCCC1(C(=O)NC2CCCCC(=O)N2)CCCCCC1.
What is the InChIKey of 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide?
The InChIKey is JPJXTQFOGJXOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c22-17(25)11-5-1-2-8-14-21(15-9-3-4-10-16-21)20(27)24-18-12-6-7-13-19(26)23-18/h18H,1-16H2,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide?
1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 67944163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).