N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide

C16H20N2O — CID 55023977

IUPACN-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2(C#N)CCCC2)cc1C
InChIInChI=1S/C16H20N2O/c1-12-5-6-14(9-13(12)2)10-15(19)18-16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeySWGJAEJYBFONLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide

N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 55023977) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID55023977
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2(C#N)CCCC2)cc1C
InChIInChI=1S/C16H20N2O/c1-12-5-6-14(9-13(12)2)10-15(19)18-16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeySWGJAEJYBFONLS-UHFFFAOYSA-N
XLogP2.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592214
N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 87017526
2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 18710449
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8633916
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide (CID 55023977) is N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC2(C#N)CCCC2)cc1C.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is SWGJAEJYBFONLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-6-14(9-13(12)2)10-15(19)18-16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide?
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 55023977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).