1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea

C20H30N4O2 — CID 42448175

IUPAC1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
SMILESCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H30N4O2/c1-4-23-9-5-6-18(23)12-21-20(26)22-16-11-19(25)24(13-16)17-8-7-14(2)15(3)10-17/h7-8,10,16,18H,4-6,9,11-13H2,1-3H3,(H2,21,22,26)/t16-,18+/m0/s1
InChIKeyQMGKANATMRUCEC-FUHWJXTLSA-N
MW358.49 g/mol
LogP2.19
Rot. Bonds5

About 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea

1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea (PubChem CID 42448175) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
PubChem CID42448175
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
SMILESCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C20H30N4O2/c1-4-23-9-5-6-18(23)12-21-20(26)22-16-11-19(25)24(13-16)17-8-7-14(2)15(3)10-17/h7-8,10,16,18H,4-6,9,11-13H2,1-3H3,(H2,21,22,26)/t16-,18+/m0/s1
InChIKeyQMGKANATMRUCEC-FUHWJXTLSA-N
XLogP2.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea 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

1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 42448178
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215036
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819868
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-pentylurea
CID 7543385
1-(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969553
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543099
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543097
1-[(2S)-butan-2-yl]-3-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543103
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 7215063
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(dipropylamino)propyl]urea
CID 43969662

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea (CID 42448175) is 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea is CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
The InChIKey is QMGKANATMRUCEC-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-23-9-5-6-18(23)12-21-20(26)22-16-11-19(25)24(13-16)17-8-7-14(2)15(3)10-17/h7-8,10,16,18H,4-6,9,11-13H2,1-3H3,(H2,21,22,26)/t16-,18+/m0/s1.
What are the key properties of 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea?
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea has a molecular weight of 358.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 42448175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).