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

C19H24ClN3O2 — CID 120611139

IUPAC3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(CCNC(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-21-19(24)16-7-4-5-14(13-16)11-12-22-18(23)10-9-15-6-2-3-8-17(15)20;/h2-8,13H,9-12,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyPHUFIMHEZLCFSC-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.34
Rot. Bonds7

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

3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride (PubChem CID 120611139) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
PubChem CID120611139
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(CCNC(=O)CCc2ccccc2N)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-21-19(24)16-7-4-5-14(13-16)11-12-22-18(23)10-9-15-6-2-3-8-17(15)20;/h2-8,13H,9-12,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyPHUFIMHEZLCFSC-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.34
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

3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]benzoic acid
CID 120512961
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
2-[4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]phenoxy]acetic acid
CID 120528991
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
CID 120593008
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
2-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethylsulfanyl]acetic acid
CID 120526461
3-[2-[[N-[3-(benzylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633471
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride (CID 120611139) is 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride is CNC(=O)c1cccc(CCNC(=O)CCc2ccccc2N)c1.Cl.
What is the InChIKey of 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride?
The InChIKey is PHUFIMHEZLCFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-21-19(24)16-7-4-5-14(13-16)11-12-22-18(23)10-9-15-6-2-3-8-17(15)20;/h2-8,13H,9-12,20H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride?
3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 120611139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).