N-(1-cyanocyclopentyl)-4-phenoxybutanamide

C16H20N2O2 — CID 86978972

IUPACN-(1-cyanocyclopentyl)-4-phenoxybutanamide
SMILESN#CC1(NC(=O)CCCOc2ccccc2)CCCC1
InChIInChI=1S/C16H20N2O2/c17-13-16(10-4-5-11-16)18-15(19)9-6-12-20-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-12H2,(H,18,19)
InChIKeyOYQBADIWPWRLOC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds6

About N-(1-cyanocyclopentyl)-4-phenoxybutanamide

N-(1-cyanocyclopentyl)-4-phenoxybutanamide (PubChem CID 86978972) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-phenoxybutanamide
PubChem CID86978972
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-cyanocyclopentyl)-4-phenoxybutanamide
SMILESN#CC1(NC(=O)CCCOc2ccccc2)CCCC1
InChIInChI=1S/C16H20N2O2/c17-13-16(10-4-5-11-16)18-15(19)9-6-12-20-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-12H2,(H,18,19)
InChIKeyOYQBADIWPWRLOC-UHFFFAOYSA-N
XLogP2.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147332
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7855996
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-phenoxybutanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-phenoxybutanamide (CID 86978972) is N-(1-cyanocyclopentyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-phenoxybutanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-phenoxybutanamide is N#CC1(NC(=O)CCCOc2ccccc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-phenoxybutanamide?
The InChIKey is OYQBADIWPWRLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-13-16(10-4-5-11-16)18-15(19)9-6-12-20-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-12H2,(H,18,19).
What are the key properties of N-(1-cyanocyclopentyl)-4-phenoxybutanamide?
N-(1-cyanocyclopentyl)-4-phenoxybutanamide has a molecular weight of 272.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-phenoxybutanamide is sourced from PubChem (CID 86978972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).