3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide

C20H23N3O2 — CID 125120172

IUPAC3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
SMILESC[C@H]1C[C@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14-13-18(20(25)23(14)16-8-3-2-4-9-16)22-19(24)12-11-15-7-5-6-10-17(15)21/h2-10,14,18H,11-13,21H2,1H3,(H,22,24)/t14-,18-/m0/s1
InChIKeyBHNGDVPYXYNACI-KSSFIOAISA-N
MW337.42 g/mol
LogP2.51
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide

3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide (PubChem CID 125120172) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
PubChem CID125120172
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
SMILESC[C@H]1C[C@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14-13-18(20(25)23(14)16-8-3-2-4-9-16)22-19(24)12-11-15-7-5-6-10-17(15)21/h2-10,14,18H,11-13,21H2,1H3,(H,22,24)/t14-,18-/m0/s1
InChIKeyBHNGDVPYXYNACI-KSSFIOAISA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.51
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-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 124626029
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 97022691
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806323

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide (CID 125120172) is 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide is C[C@H]1C[C@H](NC(=O)CCc2ccccc2N)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide?
The InChIKey is BHNGDVPYXYNACI-KSSFIOAISA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-13-18(20(25)23(14)16-8-3-2-4-9-16)22-19(24)12-11-15-7-5-6-10-17(15)21/h2-10,14,18H,11-13,21H2,1H3,(H,22,24)/t14-,18-/m0/s1.
What are the key properties of 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide?
3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 125120172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).