3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride

C19H24ClN3O2 — CID 120608927

IUPAC3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-8-9-15(19(24)22(2)3)12-17(13)21-18(23)11-10-14-6-4-5-7-16(14)20;/h4-9,12H,10-11,20H2,1-3H3,(H,21,23);1H
InChIKeyNCDGRORXXALCDZ-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.27
Rot. Bonds5

About 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride

3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride (PubChem CID 120608927) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
PubChem CID120608927
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-8-9-15(19(24)22(2)3)12-17(13)21-18(23)11-10-14-6-4-5-7-16(14)20;/h4-9,12H,10-11,20H2,1-3H3,(H,21,23);1H
InChIKeyNCDGRORXXALCDZ-UHFFFAOYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride?
The IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride (CID 120608927) is 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride is Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride?
The InChIKey is NCDGRORXXALCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-13-8-9-15(19(24)22(2)3)12-17(13)21-18(23)11-10-14-6-4-5-7-16(14)20;/h4-9,12H,10-11,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride?
3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 120608927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).