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

C17H23N3O3 — CID 95597644

IUPAC1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-19(12-15-4-3-11-23-15)17(22)18-13-6-8-14(9-7-13)20-10-2-5-16(20)21/h6-9,15H,2-5,10-12H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyWVINDYCMJJTJJR-HNNXBMFYSA-N
MW317.39 g/mol
LogP2.46
Rot. Bonds4

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

1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 95597644) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID95597644
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-19(12-15-4-3-11-23-15)17(22)18-13-6-8-14(9-7-13)20-10-2-5-16(20)21/h6-9,15H,2-5,10-12H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyWVINDYCMJJTJJR-HNNXBMFYSA-N
XLogP2.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 100856435
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea
CID 126441863
3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 47041591
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
2-morpholin-2-yl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 119688497
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 95597644) is 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is WVINDYCMJJTJJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(12-15-4-3-11-23-15)17(22)18-13-6-8-14(9-7-13)20-10-2-5-16(20)21/h6-9,15H,2-5,10-12H2,1H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 95597644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).