N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride

C19H25ClN4O2 — CID 120568392

IUPACN-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-14-8-9-16(20)12-17(14)22-18(24)10-11-21-19(25)23(2)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,25)(H,22,24);1H
InChIKeyORTQHPKJFHSHCE-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.17
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride (PubChem CID 120568392) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
PubChem CID120568392
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-14-8-9-16(20)12-17(14)22-18(24)10-11-21-19(25)23(2)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,25)(H,22,24);1H
InChIKeyORTQHPKJFHSHCE-UHFFFAOYSA-N
XLogP3.17
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;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

N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 56512790
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138
N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119419694
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 56515304
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-fluorophenyl]acetic acid
CID 122109906
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
CID 56514095

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride (CID 120568392) is N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The InChIKey is ORTQHPKJFHSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-14-8-9-16(20)12-17(14)22-18(24)10-11-21-19(25)23(2)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,25)(H,22,24);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride is sourced from PubChem (CID 120568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).