N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide

C14H18N2O — CID 55067567

IUPACN-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
SMILESCCCC(C#N)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H18N2O/c1-3-5-13(10-15)16-14(17)9-12-7-4-6-11(2)8-12/h4,6-8,13H,3,5,9H2,1-2H3,(H,16,17)
InChIKeyXQTFHZBUNLUVDJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds5

About N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide

N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide (PubChem CID 55067567) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
PubChem CID55067567
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
SMILESCCCC(C#N)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H18N2O/c1-3-5-13(10-15)16-14(17)9-12-7-4-6-11(2)8-12/h4,6-8,13H,3,5,9H2,1-2H3,(H,16,17)
InChIKeyXQTFHZBUNLUVDJ-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-(2-methylphenyl)acetamide
CID 61119098
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
2-[2-(3-methylphenyl)acetyl]propanedinitrile
CID 123474618
2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 62389938
N-[(1S)-1-cyanobutyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 95284035
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide
CID 57021991
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
N-(1-cyanobutyl)-2-phenylsulfanylacetamide
CID 78917962
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide (CID 55067567) is N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide is CCCC(C#N)NC(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide?
The InChIKey is XQTFHZBUNLUVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-5-13(10-15)16-14(17)9-12-7-4-6-11(2)8-12/h4,6-8,13H,3,5,9H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide?
N-(1-cyanobutyl)-2-(3-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-(3-methylphenyl)acetamide is sourced from PubChem (CID 55067567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).