1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

C15H22ClN3O2 — CID 120609404

IUPAC1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN1C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-17-15(20)13-7-4-10-18(13)14(19)9-8-11-5-2-3-6-12(11)16;/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,20);1H
InChIKeyIANLDVPMOKDXFZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.36
Rot. Bonds4

About 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120609404) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID120609404
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN1C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-17-15(20)13-7-4-10-18(13)14(19)9-8-11-5-2-3-6-12(11)16;/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,20);1H
InChIKeyIANLDVPMOKDXFZ-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.36
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-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103197591
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107273461
3-(2-aminophenyl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120612623
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023
3-(2-aminophenyl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 120613264
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 120609404) is 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CNC(=O)C1CCCN1C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IANLDVPMOKDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-17-15(20)13-7-4-10-18(13)14(19)9-8-11-5-2-3-6-12(11)16;/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,20);1H.
What are the key properties of 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120609404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).