N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide

C21H27N3O2 — CID 54814951

IUPACN-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNC(C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-4-15(2)23-21(26)18-11-8-12-19(13-18)24-20(25)14-22-16(3)17-9-6-5-7-10-17/h5-13,15-16,22H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyKIECGENIEPKJMF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.50
Rot. Bonds8

About N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide

N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide (PubChem CID 54814951) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
PubChem CID54814951
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNC(C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-4-15(2)23-21(26)18-11-8-12-19(13-18)24-20(25)14-22-16(3)17-9-6-5-7-10-17/h5-13,15-16,22H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyKIECGENIEPKJMF-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide 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

3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
3-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834929
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 54815077
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide (CID 54814951) is N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNC(C)c2ccccc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
The InChIKey is KIECGENIEPKJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-15(2)23-21(26)18-11-8-12-19(13-18)24-20(25)14-22-16(3)17-9-6-5-7-10-17/h5-13,15-16,22H,4,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54814951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).