N-butyl-N-phenylacetamide

C12H17NO — CID 7051

IUPACN-butyl-N-phenylacetamide
SMILESCCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyZWDZJRRQSXLOQR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.84
Rot. Bonds4

About N-butyl-N-phenylacetamide

N-butyl-N-phenylacetamide (PubChem CID 7051) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-butyl-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-N-phenylacetamide
PubChem CID7051
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-butyl-N-phenylacetamide
SMILESCCCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyZWDZJRRQSXLOQR-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 904
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Pirfenidone
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Propachlor
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Crotamiton
CID 2883
N,N-Diethylaniline
CID 7061
N-Phenylmaleimide
CID 13662
2-Methylacetanilide
CID 12107
Trimethylphenylammonium iodide
CID 94135
N-Ethyl-o-crotonotoluidide
CID 688020
4-Aminoacetanilide
CID 31230

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylacetamide?
The IUPAC name of N-butyl-N-phenylacetamide (CID 7051) is N-butyl-N-phenylacetamide.
What is the SMILES notation for N-butyl-N-phenylacetamide?
The canonical SMILES for N-butyl-N-phenylacetamide is CCCCN(C(C)=O)c1ccccc1.
What is the InChIKey of N-butyl-N-phenylacetamide?
The InChIKey is ZWDZJRRQSXLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-N-phenylacetamide?
N-butyl-N-phenylacetamide has a molecular weight of 191.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylacetamide is sourced from PubChem (CID 7051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).