N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide

C16H18N2O — CID 47161802

IUPACN-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
SMILESCC(NC(=O)CC1C=CCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H18N2O/c1-12(15-8-6-14(11-17)7-9-15)18-16(19)10-13-4-2-3-5-13/h2,4,6-9,12-13H,3,5,10H2,1H3,(H,18,19)
InChIKeyBSWWSLWFVBVFDJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide

N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 47161802) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID47161802
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
SMILESCC(NC(=O)CC1C=CCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H18N2O/c1-12(15-8-6-14(11-17)7-9-15)18-16(19)10-13-4-2-3-5-13/h2,4,6-9,12-13H,3,5,10H2,1H3,(H,18,19)
InChIKeyBSWWSLWFVBVFDJ-UHFFFAOYSA-N
XLogP3.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037
2-cyclopent-2-en-1-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008759
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62212277
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 39271822
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide (CID 47161802) is N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide is CC(NC(=O)CC1C=CCC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is BSWWSLWFVBVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(15-8-6-14(11-17)7-9-15)18-16(19)10-13-4-2-3-5-13/h2,4,6-9,12-13H,3,5,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide?
N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 254.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 47161802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).