3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride

C19H24ClN3O2 — CID 119719732

IUPAC3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(N)cc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-3-13(2)22-19(24)16-6-4-5-14(11-16)12-21-18(23)15-7-9-17(20)10-8-15;/h4-11,13H,3,12,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyBEGASSFHGYPLQK-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.15
Rot. Bonds6

About 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride

3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride (PubChem CID 119719732) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
PubChem CID119719732
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(N)cc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-3-13(2)22-19(24)16-6-4-5-14(11-16)12-21-18(23)15-7-9-17(20)10-8-15;/h4-11,13H,3,12,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyBEGASSFHGYPLQK-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride 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-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
4-amino-N-butan-2-ylbenzamide
CID 3503917
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719774
3-[(2-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287338
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
1-benzyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 86996216

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
The IUPAC name of 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride (CID 119719732) is 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride is CCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(N)cc2)c1.Cl.
What is the InChIKey of 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
The InChIKey is BEGASSFHGYPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-3-13(2)22-19(24)16-6-4-5-14(11-16)12-21-18(23)15-7-9-17(20)10-8-15;/h4-11,13H,3,12,20H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119719732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).