3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide

C21H27N3O2 — CID 54829287

IUPAC3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCC(C)NCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-4-15(2)22-14-20(25)24-19-12-8-11-18(13-19)21(26)23-16(3)17-9-6-5-7-10-17/h5-13,15-16,22H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyWOTRMPNVKLSABN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.50
Rot. Bonds8

About 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54829287) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54829287
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCC(C)NCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-4-15(2)22-14-20(25)24-19-12-8-11-18(13-19)21(26)23-16(3)17-9-6-5-7-10-17/h5-13,15-16,22H,4,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyWOTRMPNVKLSABN-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 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)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

N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54814951
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
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
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811860
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54829287) is 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide is CCC(C)NCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is WOTRMPNVKLSABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-15(2)22-14-20(25)24-19-12-8-11-18(13-19)21(26)23-16(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 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)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 3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54829287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).