(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C20H27N3O2 — CID 98354419

IUPAC(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@@H](C(=O)NCc1cccc(N2CC=CC2)c1)N1CCCC1=O
InChIInChI=1S/C20H27N3O2/c1-15(2)19(23-12-6-9-18(23)24)20(25)21-14-16-7-5-8-17(13-16)22-10-3-4-11-22/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyVKTPNYNTKHSDCI-IBGZPJMESA-N
MW341.45 g/mol
LogP2.33
Rot. Bonds6

About (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 98354419) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID98354419
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@@H](C(=O)NCc1cccc(N2CC=CC2)c1)N1CCCC1=O
InChIInChI=1S/C20H27N3O2/c1-15(2)19(23-12-6-9-18(23)24)20(25)21-14-16-7-5-8-17(13-16)22-10-3-4-11-22/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyVKTPNYNTKHSDCI-IBGZPJMESA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52515379
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56503664
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
methyl N-[1-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 56794539
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111509057
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 98354419) is (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)[C@@H](C(=O)NCc1cccc(N2CC=CC2)c1)N1CCCC1=O.
What is the InChIKey of (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is VKTPNYNTKHSDCI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)19(23-12-6-9-18(23)24)20(25)21-14-16-7-5-8-17(13-16)22-10-3-4-11-22/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 98354419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).