(1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide

C19H35NO — CID 134546072

IUPAC(1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide
SMILESCCCCCCCCNC(=O)[C@H]1CCC(C2CCCC2)C1
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-9-14-20-19(21)18-13-12-17(15-18)16-10-7-8-11-16/h16-18H,2-15H2,1H3,(H,20,21)/t17?,18-/m0/s1
InChIKeyZGCLYGKGZRAFSN-ZVAWYAOSSA-N
MW293.50 g/mol
LogP5.07
Rot. Bonds9

About (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide

(1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide (PubChem CID 134546072) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide
PubChem CID134546072
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide
SMILESCCCCCCCCNC(=O)[C@H]1CCC(C2CCCC2)C1
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-9-14-20-19(21)18-13-12-17(15-18)16-10-7-8-11-16/h16-18H,2-15H2,1H3,(H,20,21)/t17?,18-/m0/s1
InChIKeyZGCLYGKGZRAFSN-ZVAWYAOSSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-3-cyclopentyl-N-octylcyclopentane-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 (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide?
The IUPAC name of (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide (CID 134546072) is (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide?
The canonical SMILES for (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide is CCCCCCCCNC(=O)[C@H]1CCC(C2CCCC2)C1.
What is the InChIKey of (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide?
The InChIKey is ZGCLYGKGZRAFSN-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-3-4-5-6-9-14-20-19(21)18-13-12-17(15-18)16-10-7-8-11-16/h16-18H,2-15H2,1H3,(H,20,21)/t17?,18-/m0/s1.
What are the key properties of (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide?
(1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide has a molecular weight of 293.50 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-cyclopentyl-N-octylcyclopentane-1-carboxamide is sourced from PubChem (CID 134546072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).