N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide

C14H18N2O — CID 61119098

IUPACN-(1-cyanobutyl)-2-(2-methylphenyl)acetamide
SMILESCCCC(C#N)NC(=O)Cc1ccccc1C
InChIInChI=1S/C14H18N2O/c1-3-6-13(10-15)16-14(17)9-12-8-5-4-7-11(12)2/h4-5,7-8,13H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyXYACMUZWAFVZII-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds5

About N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide

N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide (PubChem CID 61119098) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-(2-methylphenyl)acetamide
PubChem CID61119098
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-cyanobutyl)-2-(2-methylphenyl)acetamide
SMILESCCCC(C#N)NC(=O)Cc1ccccc1C
InChIInChI=1S/C14H18N2O/c1-3-6-13(10-15)16-14(17)9-12-8-5-4-7-11(12)2/h4-5,7-8,13H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyXYACMUZWAFVZII-UHFFFAOYSA-N
XLogP2.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
CID 55067567
N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818
N-(1-cyanobutyl)-2-phenylsulfanylacetamide
CID 78917962
phenyl N-(1-cyanobutyl)carbamate
CID 61122017
N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
CID 103528530
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-[(1S)-1-cyanobutyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 95284035
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
CID 103751084
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide (CID 61119098) is N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide is CCCC(C#N)NC(=O)Cc1ccccc1C.
What is the InChIKey of N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide?
The InChIKey is XYACMUZWAFVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-6-13(10-15)16-14(17)9-12-8-5-4-7-11(12)2/h4-5,7-8,13H,3,6,9H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide?
N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 61119098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).