N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide

C14H16N2O — CID 63821795

IUPACN-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C#N)C2CC2)cc1
InChIInChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)8-14(17)16-13(9-15)12-6-7-12/h2-5,12-13H,6-8H2,1H3,(H,16,17)
InChIKeyKNBTYZMXHONFSU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.96
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide

N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 63821795) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID63821795
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C#N)C2CC2)cc1
InChIInChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)8-14(17)16-13(9-15)12-6-7-12/h2-5,12-13H,6-8H2,1H3,(H,16,17)
InChIKeyKNBTYZMXHONFSU-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
CID 63822321
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116709353
4-chloro-N-[cyano(cyclopropyl)methyl]-3-methylbenzamide
CID 112699237
N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 143250120
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
methyl 2-[2-[[(R)-cyano(cyclopropyl)methyl]carbamoyl]phenyl]benzoate
CID 99842512
N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 110664177

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide (CID 63821795) is N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC(C#N)C2CC2)cc1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is KNBTYZMXHONFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-2-4-11(5-3-10)8-14(17)16-13(9-15)12-6-7-12/h2-5,12-13H,6-8H2,1H3,(H,16,17).
What are the key properties of N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide?
N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 228.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 63821795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).