3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide

C21H25N3O2 — CID 120609962

IUPAC3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1N)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H25N3O2/c1-15(23-20(25)12-11-16-6-2-3-9-19(16)22)17-7-4-8-18(14-17)24-13-5-10-21(24)26/h2-4,6-9,14-15H,5,10-13,22H2,1H3,(H,23,25)
InChIKeyYILFHJQBEHEYQK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.21
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide

3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide (PubChem CID 120609962) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
PubChem CID120609962
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1N)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H25N3O2/c1-15(23-20(25)12-11-16-6-2-3-9-19(16)22)17-7-4-8-18(14-17)24-13-5-10-21(24)26/h2-4,6-9,14-15H,5,10-13,22H2,1H3,(H,23,25)
InChIKeyYILFHJQBEHEYQK-UHFFFAOYSA-N
XLogP3.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.21
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

2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide (CID 120609962) is 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide is CC(NC(=O)CCc1ccccc1N)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide?
The InChIKey is YILFHJQBEHEYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(23-20(25)12-11-16-6-2-3-9-19(16)22)17-7-4-8-18(14-17)24-13-5-10-21(24)26/h2-4,6-9,14-15H,5,10-13,22H2,1H3,(H,23,25).
What are the key properties of 3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide?
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.21, 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-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 120609962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).