2-phenylbutanamide

C10H13NO — CID 7011

IUPAC2-phenylbutanamide
SMILESCCC(C(N)=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)
InChIKeyUNFGQCCHVMMMRF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.67
Rot. Bonds3

About 2-phenylbutanamide

2-phenylbutanamide (PubChem CID 7011) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-phenylbutanamide.

Molecular Properties

Compound Name2-phenylbutanamide
PubChem CID7011
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-phenylbutanamide
SMILESCCC(C(N)=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)
InChIKeyUNFGQCCHVMMMRF-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzeneacetamide
CID 7680
Reparixin
CID 9838712
Pheneturide
CID 72060
1-Naphthaleneacetamide
CID 6861
Ibuproxam
CID 68704
Phenylethylmalonamide
CID 23611
3-Phenylpropanamide
CID 7625
2-Methylbenzamide
CID 10704
Benzeneacetic acid, hydrazide
CID 70301
Cyheptamide
CID 23603
2,2-Diphenylacetamide
CID 78420
Acetylpheneturide
CID 1999

Frequently Asked Questions

What is the IUPAC name of 2-phenylbutanamide?
The IUPAC name of 2-phenylbutanamide (CID 7011) is 2-phenylbutanamide.
What is the SMILES notation for 2-phenylbutanamide?
The canonical SMILES for 2-phenylbutanamide is CCC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-phenylbutanamide?
The InChIKey is UNFGQCCHVMMMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12).
What are the key properties of 2-phenylbutanamide?
2-phenylbutanamide has a molecular weight of 163.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutanamide is sourced from PubChem (CID 7011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).