3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide

C20H23N3O2 — CID 120608825

IUPAC3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O2/c21-18-5-2-1-4-16(18)9-12-19(24)22-17-10-7-15(8-11-17)14-23-13-3-6-20(23)25/h1-2,4-5,7-8,10-11H,3,6,9,12-14,21H2,(H,22,24)
InChIKeyRTMQIIBDXNOCOT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds6

About 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide

3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide (PubChem CID 120608825) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
PubChem CID120608825
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O2/c21-18-5-2-1-4-16(18)9-12-19(24)22-17-10-7-15(8-11-17)14-23-13-3-6-20(23)25/h1-2,4-5,7-8,10-11H,3,6,9,12-14,21H2,(H,22,24)
InChIKeyRTMQIIBDXNOCOT-UHFFFAOYSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
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)-N-(4-chlorophenyl)propanamide
CID 28713936
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 120611492
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729
2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 111536754
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(2-aminophenyl)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]propanamide;hydrochloride
CID 120610743
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide (CID 120608825) is 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide is Nc1ccccc1CCC(=O)Nc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is RTMQIIBDXNOCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-18-5-2-1-4-16(18)9-12-19(24)22-17-10-7-15(8-11-17)14-23-13-3-6-20(23)25/h1-2,4-5,7-8,10-11H,3,6,9,12-14,21H2,(H,22,24).
What are the key properties of 3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide?
3-(2-aminophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.96, 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-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 120608825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).