3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride

C20H24ClN3O2 — CID 120608755

IUPAC3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-13-6-7-15(20(25)22-16-9-10-16)12-18(13)23-19(24)11-8-14-4-2-3-5-17(14)21;/h2-7,12,16H,8-11,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyYYGUOSOJPJCMTE-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.46
Rot. Bonds6

About 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride

3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride (PubChem CID 120608755) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
PubChem CID120608755
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-13-6-7-15(20(25)22-16-9-10-16)12-18(13)23-19(24)11-8-14-4-2-3-5-17(14)21;/h2-7,12,16H,8-11,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyYYGUOSOJPJCMTE-UHFFFAOYSA-N
XLogP3.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
CID 120608927
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 91646228

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride (CID 120608755) is 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The InChIKey is YYGUOSOJPJCMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-13-6-7-15(20(25)22-16-9-10-16)12-18(13)23-19(24)11-8-14-4-2-3-5-17(14)21;/h2-7,12,16H,8-11,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120608755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).