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

C17H23N3O4 — CID 94783824

IUPAC1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1N1CCCC1=O
InChIInChI=1S/C17H23N3O4/c1-23-15-7-6-12(10-14(15)20-8-2-5-16(20)21)19-17(22)18-11-13-4-3-9-24-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H2,18,19,22)/t13-/m0/s1
InChIKeyNGOZTTXXDUBBSG-ZDUSSCGKSA-N
MW333.39 g/mol
LogP2.12
Rot. Bonds5

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

1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94783824) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94783824
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1N1CCCC1=O
InChIInChI=1S/C17H23N3O4/c1-23-15-7-6-12(10-14(15)20-8-2-5-16(20)21)19-17(22)18-11-13-4-3-9-24-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H2,18,19,22)/t13-/m0/s1
InChIKeyNGOZTTXXDUBBSG-ZDUSSCGKSA-N
XLogP2.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 47041591
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812701
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 55743390
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
dimethyl 5-(oxolan-2-ylmethylcarbamoylamino)benzene-1,3-dicarboxylate
CID 3788789
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112829527
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86873596

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 94783824) is 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1N1CCCC1=O.
What is the InChIKey of 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is NGOZTTXXDUBBSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-15-7-6-12(10-14(15)20-8-2-5-16(20)21)19-17(22)18-11-13-4-3-9-24-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H2,18,19,22)/t13-/m0/s1.
What are the key properties of 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 333.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94783824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).