Butylacetanilide

C12H17NO — CID 7051

IUPACN-butyl-N-phenylacetamide
SMILESCCCCN(C1=CC=CC=C1)C(=O)C
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
LogP2.50
Rot. Bonds4

About Butylacetanilide

Butylacetanilide (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 NameButylacetanilide
PubChem CID7051
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-butyl-N-phenylacetamide
SMILESCCCCN(C1=CC=CC=C1)C(=O)C
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
XLogP2.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity173

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Acetanilide
CID 904
N,N-Dimethylaniline
CID 949
Antipyrine
CID 2206
Pirfenidone
CID 40632
Propachlor
CID 4931
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 Butylacetanilide?
The IUPAC name of Butylacetanilide (CID 7051) is N-butyl-N-phenylacetamide.
What is the SMILES notation for Butylacetanilide?
The canonical SMILES for Butylacetanilide is CCCCN(C1=CC=CC=C1)C(=O)C.
What is the InChIKey of Butylacetanilide?
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 Butylacetanilide?
Butylacetanilide has a molecular weight of 191.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Butylacetanilide is sourced from PubChem (CID 7051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).