N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide

C16H17N3O — CID 78830549

IUPACN-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C16H17N3O/c17-11-14-5-3-13(4-6-14)7-8-15(20)19-16(12-18)9-1-2-10-16/h3-6H,1-2,7-10H2,(H,19,20)
InChIKeySYCRRJVTGDXKBK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.44
Rot. Bonds4

About N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide

N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide (PubChem CID 78830549) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
PubChem CID78830549
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C16H17N3O/c17-11-14-5-3-13(4-6-14)7-8-15(20)19-16(12-18)9-1-2-10-16/h3-6H,1-2,7-10H2,(H,19,20)
InChIKeySYCRRJVTGDXKBK-UHFFFAOYSA-N
XLogP2.44
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922934
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 51085302
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
CID 61119370
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide (CID 78830549) is N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide is N#Cc1ccc(CCC(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide?
The InChIKey is SYCRRJVTGDXKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-14-5-3-13(4-6-14)7-8-15(20)19-16(12-18)9-1-2-10-16/h3-6H,1-2,7-10H2,(H,19,20).
What are the key properties of N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide?
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide is sourced from PubChem (CID 78830549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).