2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide

C20H23N3O2 — CID 119289931

IUPAC2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H23N3O2/c21-18(13-15-6-2-1-3-7-15)20(25)22-14-16-8-4-9-17(12-16)23-11-5-10-19(23)24/h1-4,6-9,12,18H,5,10-11,13-14,21H2,(H,22,25)
InChIKeyLPQFOSTYYKOETH-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.00
Rot. Bonds6

About 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide

2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 119289931) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
PubChem CID119289931
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H23N3O2/c21-18(13-15-6-2-1-3-7-15)20(25)22-14-16-8-4-9-17(12-16)23-11-5-10-19(23)24/h1-4,6-9,12,18H,5,10-11,13-14,21H2,(H,22,25)
InChIKeyLPQFOSTYYKOETH-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
CID 51956530
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119307509
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide (CID 119289931) is 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is LPQFOSTYYKOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-18(13-15-6-2-1-3-7-15)20(25)22-14-16-8-4-9-17(12-16)23-11-5-10-19(23)24/h1-4,6-9,12,18H,5,10-11,13-14,21H2,(H,22,25).
What are the key properties of 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide?
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119289931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).