N-phenylbutanamide

C10H13NO — CID 14323

IUPACN-phenylbutanamide
SMILESCCCC(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)
InChIKeyUHANVDZCDNSILX-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.43
Rot. Bonds3

About N-phenylbutanamide

N-phenylbutanamide (PubChem CID 14323) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-phenylbutanamide.

Molecular Properties

Compound NameN-phenylbutanamide
PubChem CID14323
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-phenylbutanamide
SMILESCCCC(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)
InChIKeyUHANVDZCDNSILX-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
Vorinostat
CID 5311
N-(3-Methylphenyl)acetamide
CID 10843
2-Methylacetanilide
CID 12107
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
m-Aminoacetanilide
CID 7604
4-Aminoacetanilide
CID 31230
2'-Methylacetoacetanilide
CID 7154
Butylacetanilide
CID 7051
N-(4-Chlorophenyl)acetamide
CID 10871
Phenylurea
CID 6145

Frequently Asked Questions

What is the IUPAC name of N-phenylbutanamide?
The IUPAC name of N-phenylbutanamide (CID 14323) is N-phenylbutanamide.
What is the SMILES notation for N-phenylbutanamide?
The canonical SMILES for N-phenylbutanamide is CCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenylbutanamide?
The InChIKey is UHANVDZCDNSILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12).
What are the key properties of N-phenylbutanamide?
N-phenylbutanamide has a molecular weight of 163.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbutanamide is sourced from PubChem (CID 14323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).