1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea

C16H23N3O4 — CID 43969973

IUPAC1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCCOc1ccc(N2CC(NC(=O)NCCOC)CC2=O)cc1
InChIInChI=1S/C16H23N3O4/c1-3-23-14-6-4-13(5-7-14)19-11-12(10-15(19)20)18-16(21)17-8-9-22-2/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyLXUQHQKGDAUODN-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.14
Rot. Bonds7

About 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea

1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea (PubChem CID 43969973) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
PubChem CID43969973
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCCOc1ccc(N2CC(NC(=O)NCCOC)CC2=O)cc1
InChIInChI=1S/C16H23N3O4/c1-3-23-14-6-4-13(5-7-14)19-11-12(10-15(19)20)18-16(21)17-8-9-22-2/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyLXUQHQKGDAUODN-UHFFFAOYSA-N
XLogP1.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976
1-[2-(dimethylamino)ethyl]-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545997
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
1-(2,2-dimethoxyethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545984
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
CID 7544981
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7545857
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 7215063
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
1-[(4-chlorophenyl)methyl]-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564309

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea (CID 43969973) is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea is CCOc1ccc(N2CC(NC(=O)NCCOC)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The InChIKey is LXUQHQKGDAUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-23-14-6-4-13(5-7-14)19-11-12(10-15(19)20)18-16(21)17-8-9-22-2/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea has a molecular weight of 321.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 43969973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).