N'-(3-cyanophenyl)-N-cyclopentylpropanediamide

C15H17N3O2 — CID 108942303

IUPACN'-(3-cyanophenyl)-N-cyclopentylpropanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H17N3O2/c16-10-11-4-3-7-13(8-11)18-15(20)9-14(19)17-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9H2,(H,17,19)(H,18,20)
InChIKeyCHKIXKDFDKSKPN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.95
Rot. Bonds4

About N'-(3-cyanophenyl)-N-cyclopentylpropanediamide

N'-(3-cyanophenyl)-N-cyclopentylpropanediamide (PubChem CID 108942303) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-(3-cyanophenyl)-N-cyclopentylpropanediamide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)-N-cyclopentylpropanediamide
PubChem CID108942303
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-(3-cyanophenyl)-N-cyclopentylpropanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H17N3O2/c16-10-11-4-3-7-13(8-11)18-15(20)9-14(19)17-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9H2,(H,17,19)(H,18,20)
InChIKeyCHKIXKDFDKSKPN-UHFFFAOYSA-N
XLogP1.95
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
CID 63119187
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 64699381
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)-N-cyclopentylpropanediamide?
The IUPAC name of N'-(3-cyanophenyl)-N-cyclopentylpropanediamide (CID 108942303) is N'-(3-cyanophenyl)-N-cyclopentylpropanediamide.
What is the SMILES notation for N'-(3-cyanophenyl)-N-cyclopentylpropanediamide?
The canonical SMILES for N'-(3-cyanophenyl)-N-cyclopentylpropanediamide is N#Cc1cccc(NC(=O)CC(=O)NC2CCCC2)c1.
What is the InChIKey of N'-(3-cyanophenyl)-N-cyclopentylpropanediamide?
The InChIKey is CHKIXKDFDKSKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-10-11-4-3-7-13(8-11)18-15(20)9-14(19)17-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(3-cyanophenyl)-N-cyclopentylpropanediamide?
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide has a molecular weight of 271.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)-N-cyclopentylpropanediamide is sourced from PubChem (CID 108942303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).