(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide

C19H27N3O4 — CID 2294281

IUPAC(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-25-17-5-3-16(4-6-17)22-14-15(13-18(22)23)19(24)20-7-2-8-21-9-11-26-12-10-21/h3-6,15H,2,7-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyZEMACINJDCGDSA-HNNXBMFYSA-N
MW361.44 g/mol
LogP0.89
Rot. Bonds7

About (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2294281) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2294281
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-25-17-5-3-16(4-6-17)22-14-15(13-18(22)23)19(24)20-7-2-8-21-9-11-26-12-10-21/h3-6,15H,2,7-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyZEMACINJDCGDSA-HNNXBMFYSA-N
XLogP0.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide 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

(3R)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2294283
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55735049
1-(4-methylsulfanylphenyl)-N-(4-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 55742273
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
1-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113188045
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-(3-formamidopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785659
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 2174553

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 2294281) is (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZEMACINJDCGDSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-17-5-3-16(4-6-17)22-14-15(13-18(22)23)19(24)20-7-2-8-21-9-11-26-12-10-21/h3-6,15H,2,7-14H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2294281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).