N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide

C17H27N3O2 — CID 90665730

IUPACN-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide
SMILESN#CCNC(=O)C1(NC(=O)CCC2CCCC2)CCCCC1
InChIInChI=1S/C17H27N3O2/c18-12-13-19-16(22)17(10-4-1-5-11-17)20-15(21)9-8-14-6-2-3-7-14/h14H,1-11,13H2,(H,19,22)(H,20,21)
InChIKeyQVYCGYSTGSZITN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.42
Rot. Bonds6

About N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide

N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide (PubChem CID 90665730) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide
PubChem CID90665730
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide
SMILESN#CCNC(=O)C1(NC(=O)CCC2CCCC2)CCCCC1
InChIInChI=1S/C17H27N3O2/c18-12-13-19-16(22)17(10-4-1-5-11-17)20-15(21)9-8-14-6-2-3-7-14/h14H,1-11,13H2,(H,19,22)(H,20,21)
InChIKeyQVYCGYSTGSZITN-UHFFFAOYSA-N
XLogP2.42
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-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 N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide (CID 90665730) is N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide is N#CCNC(=O)C1(NC(=O)CCC2CCCC2)CCCCC1.
What is the InChIKey of N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is QVYCGYSTGSZITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c18-12-13-19-16(22)17(10-4-1-5-11-17)20-15(21)9-8-14-6-2-3-7-14/h14H,1-11,13H2,(H,19,22)(H,20,21).
What are the key properties of N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide?
N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-(3-cyclopentylpropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 90665730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).