3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride

C20H24ClN3O2 — CID 120609078

IUPAC3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H23N3O2.ClH/c21-18-8-2-1-6-16(18)10-11-19(24)22-14-15-5-3-7-17(13-15)23-12-4-9-20(23)25;/h1-3,5-8,13H,4,9-12,14,21H2,(H,22,24);1H
InChIKeyWURSLCLGXDBYMV-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.07
Rot. Bonds6

About 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120609078) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
PubChem CID120609078
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H23N3O2.ClH/c21-18-8-2-1-6-16(18)10-11-19(24)22-14-15-5-3-7-17(13-15)23-12-4-9-20(23)25;/h1-3,5-8,13H,4,9-12,14,21H2,(H,22,24);1H
InChIKeyWURSLCLGXDBYMV-UHFFFAOYSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.07
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

4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 38932202
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride (CID 120609078) is 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is WURSLCLGXDBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-18-8-2-1-6-16(18)10-11-19(24)22-14-15-5-3-7-17(13-15)23-12-4-9-20(23)25;/h1-3,5-8,13H,4,9-12,14,21H2,(H,22,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120609078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).