N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride

C19H25ClN4O3 — CID 119419694

IUPACN-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1N.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-23(13-14-6-4-3-5-7-14)19(25)21-11-10-18(24)22-15-8-9-17(26-2)16(20)12-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,25)(H,22,24);1H
InChIKeyJDOWKOMUEMIRGF-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.87
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride (PubChem CID 119419694) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
PubChem CID119419694
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1N.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-23(13-14-6-4-3-5-7-14)19(25)21-11-10-18(24)22-15-8-9-17(26-2)16(20)12-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,25)(H,22,24);1H
InChIKeyJDOWKOMUEMIRGF-UHFFFAOYSA-N
XLogP2.87
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-fluorophenyl]acetic acid
CID 122109906
methyl 2-[[2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]phenyl]acetyl]amino]acetate
CID 56513173
N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 120568392
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide
CID 56556873
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581863
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride (CID 119419694) is N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride is COc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The InChIKey is JDOWKOMUEMIRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c1-23(13-14-6-4-3-5-7-14)19(25)21-11-10-18(24)22-15-8-9-17(26-2)16(20)12-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,25)(H,22,24);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride is sourced from PubChem (CID 119419694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).