2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide

C14H16N2O — CID 62403309

IUPAC2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCC2CCC2)cc1
InChIInChI=1S/C14H16N2O/c15-9-12-6-4-11(5-7-12)8-14(17)16-10-13-2-1-3-13/h4-7,13H,1-3,8,10H2,(H,16,17)
InChIKeyNBZKQAZZGYDIQS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide

2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide (PubChem CID 62403309) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
PubChem CID62403309
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCC2CCC2)cc1
InChIInChI=1S/C14H16N2O/c15-9-12-6-4-11(5-7-12)8-14(17)16-10-13-2-1-3-13/h4-7,13H,1-3,8,10H2,(H,16,17)
InChIKeyNBZKQAZZGYDIQS-UHFFFAOYSA-N
XLogP2.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
(4-cyanophenyl)methyl 2-cyclopentylacetate
CID 2405362
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide (CID 62403309) is 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide is N#Cc1ccc(CC(=O)NCC2CCC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide?
The InChIKey is NBZKQAZZGYDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-12-6-4-11(5-7-12)8-14(17)16-10-13-2-1-3-13/h4-7,13H,1-3,8,10H2,(H,16,17).
What are the key properties of 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide?
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide is sourced from PubChem (CID 62403309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).