N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide

C20H31NO2 — CID 10870843

IUPACN-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22)
InChIKeySPDGMSMRHOXECU-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.95
Rot. Bonds8

About N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide

N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide (PubChem CID 10870843) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide
PubChem CID10870843
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22)
InChIKeySPDGMSMRHOXECU-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide 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 N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide (CID 10870843) is N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NC2CCC(C)(C)C2)cc1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?
The InChIKey is SPDGMSMRHOXECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-5-6-7-14-23-18-10-8-16(9-11-18)19(22)21-17-12-13-20(2,3)15-17/h8-11,17H,4-7,12-15H2,1-3H3,(H,21,22).
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide?
N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide has a molecular weight of 317.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-hexoxybenzamide is sourced from PubChem (CID 10870843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).