N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H16N2O — CID 113319928

IUPACN-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O/c1-14(2)7-12(14)13(17)16-9-11-5-3-10(8-15)4-6-11/h3-6,12H,7,9H2,1-2H3,(H,16,17)
InChIKeyWSAVYNXOYJHZMS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.22
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 113319928) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID113319928
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O/c1-14(2)7-12(14)13(17)16-9-11-5-3-10(8-15)4-6-11/h3-6,12H,7,9H2,1-2H3,(H,16,17)
InChIKeyWSAVYNXOYJHZMS-UHFFFAOYSA-N
XLogP2.22
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide
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n-Benzylhexanamide
CID 222004
N-{[4-(Aminomethyl)phenyl]methyl}acetamide
CID 60919098
N-(1-phenylethyl)spiro[2.3]hexane-1-carboxamide
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2-Cyano-3,3-dimethyl-N-(3-phenyl-propyl)-butyramide
CID 44288459
2-Cyano-3,3-dimethyl-N-(1-methyl-3-phenyl-propyl)-butyramide
CID 44288540
N-(cyclopropylmethyl)-4-[(Z)-4,4-dimethylpent-1-enyl]benzamide
CID 44532572
2,2-dimethyl-3-(2-methyl-1-propenyl)-N-(2-phenylethyl)cyclopropanecarboxamide
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N-benzyl-2,2-dimethylbutanamide
CID 670041

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 113319928) is N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WSAVYNXOYJHZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2)7-12(14)13(17)16-9-11-5-3-10(8-15)4-6-11/h3-6,12H,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 113319928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).