2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C20H23N3O3 — CID 30548525

IUPAC2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-14(2)18(24)21-12-13-22-20(26)16-10-6-7-11-17(16)23-19(25)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyXIMDTDFREJEOCC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.44
Rot. Bonds7

About 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide

2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 30548525) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID30548525
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-14(2)18(24)21-12-13-22-20(26)16-10-6-7-11-17(16)23-19(25)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyXIMDTDFREJEOCC-UHFFFAOYSA-N
XLogP2.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]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-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
2-[(2-benzamidobenzoyl)amino]ethyl-diethylazanium
CID 2221445
2-benzamido-N-[(2-chlorophenyl)methyl]benzamide
CID 9400943
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
CID 45370530
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
2-benzamido-N-(4-hydroxybutan-2-yl)benzamide
CID 3497950
4-bromo-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]benzamide
CID 126011313

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 30548525) is 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide is CC(C)C(=O)NCCNC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is XIMDTDFREJEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(2)18(24)21-12-13-22-20(26)16-10-6-7-11-17(16)23-19(25)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 30548525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).