1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea

C12H15N3O3 — CID 75523060

IUPAC1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
SMILESCOc1ccc(NC(=O)NC2CNC(=O)C2)cc1
InChIInChI=1S/C12H15N3O3/c1-18-10-4-2-8(3-5-10)14-12(17)15-9-6-11(16)13-7-9/h2-5,9H,6-7H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyFSNQHTKFTAIUSY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.71
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea

1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea (PubChem CID 75523060) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
PubChem CID75523060
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
SMILESCOc1ccc(NC(=O)NC2CNC(=O)C2)cc1
InChIInChI=1S/C12H15N3O3/c1-18-10-4-2-8(3-5-10)14-12(17)15-9-6-11(16)13-7-9/h2-5,9H,6-7H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyFSNQHTKFTAIUSY-UHFFFAOYSA-N
XLogP0.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191950
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea
CID 43596662
2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191652
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
1-(4-chlorophenyl)-3-[(3S)-4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361253
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 134255085
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564279

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea (CID 75523060) is 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea is COc1ccc(NC(=O)NC2CNC(=O)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea?
The InChIKey is FSNQHTKFTAIUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-10-4-2-8(3-5-10)14-12(17)15-9-6-11(16)13-7-9/h2-5,9H,6-7H2,1H3,(H,13,16)(H2,14,15,17).
What are the key properties of 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea?
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea has a molecular weight of 249.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 75523060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).