N-(3-benzoylphenyl)-2-ethylbutanamide

C19H21NO2 — CID 974891

IUPACN-(3-benzoylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H21NO2/c1-3-14(4-2)19(22)20-17-12-8-11-16(13-17)18(21)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,20,22)
InChIKeyJBJLGBTXTXQJJW-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.29
Rot. Bonds6

About N-(3-benzoylphenyl)-2-ethylbutanamide

N-(3-benzoylphenyl)-2-ethylbutanamide (PubChem CID 974891) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-2-ethylbutanamide
PubChem CID974891
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3-benzoylphenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H21NO2/c1-3-14(4-2)19(22)20-17-12-8-11-16(13-17)18(21)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,20,22)
InChIKeyJBJLGBTXTXQJJW-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-benzoylphenyl)-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453499
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
CID 67945076
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
3-(2-bromobutanoylamino)benzoic acid
CID 62854835
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-2-ethylbutanamide?
The IUPAC name of N-(3-benzoylphenyl)-2-ethylbutanamide (CID 974891) is N-(3-benzoylphenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-benzoylphenyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-benzoylphenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzoylphenyl)-2-ethylbutanamide?
The InChIKey is JBJLGBTXTXQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-14(4-2)19(22)20-17-12-8-11-16(13-17)18(21)15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(3-benzoylphenyl)-2-ethylbutanamide?
N-(3-benzoylphenyl)-2-ethylbutanamide has a molecular weight of 295.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 974891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).