1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea

C20H29N3O3 — CID 126441863

IUPAC1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C20H29N3O3/c1-3-22(14-17-7-4-5-12-26-17)20(25)21-16-9-10-18(15(2)13-16)23-11-6-8-19(23)24/h9-10,13,17H,3-8,11-12,14H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyWXGCNOPZHYNZHU-KRWDZBQOSA-N
MW359.47 g/mol
LogP3.54
Rot. Bonds5

About 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea

1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea (PubChem CID 126441863) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea
PubChem CID126441863
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C20H29N3O3/c1-3-22(14-17-7-4-5-12-26-17)20(25)21-16-9-10-18(15(2)13-16)23-11-6-8-19(23)24/h9-10,13,17H,3-8,11-12,14H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyWXGCNOPZHYNZHU-KRWDZBQOSA-N
XLogP3.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-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

3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 47041591
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 95597644
5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 126450011
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
CID 72912485
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17436801
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea (CID 126441863) is 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea is CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1.
What is the InChIKey of 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
The InChIKey is WXGCNOPZHYNZHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-22(14-17-7-4-5-12-26-17)20(25)21-16-9-10-18(15(2)13-16)23-11-6-8-19(23)24/h9-10,13,17H,3-8,11-12,14H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea?
1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea has a molecular weight of 359.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea is sourced from PubChem (CID 126441863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).