1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide

C14H16N2O — CID 106899829

IUPAC1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C14H16N2O/c1-2-11-3-5-12(6-4-11)9-16-13(17)14(10-15)7-8-14/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyWPNHELQKACDTLT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.17
Rot. Bonds4

About 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 106899829) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID106899829
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C14H16N2O/c1-2-11-3-5-12(6-4-11)9-16-13(17)14(10-15)7-8-14/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyWPNHELQKACDTLT-UHFFFAOYSA-N
XLogP2.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181609
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide
CID 80591814
4-[[(4-cyanooxane-4-carbonyl)amino]methyl]benzoic acid
CID 99038411
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 51246958

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide (CID 106899829) is 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide is CCc1ccc(CNC(=O)C2(C#N)CC2)cc1.
What is the InChIKey of 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is WPNHELQKACDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-11-3-5-12(6-4-11)9-16-13(17)14(10-15)7-8-14/h3-6H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 106899829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).