methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate

C14H18N2O4 — CID 43971090

IUPACmethyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCCOc1ccc(N2CC(NC(=O)OC)CC2=O)cc1
InChIInChI=1S/C14H18N2O4/c1-3-20-12-6-4-11(5-7-12)16-9-10(8-13(16)17)15-14(18)19-2/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyISLLRKGSBHKKEW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.55
Rot. Bonds4

About methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate

methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 43971090) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID43971090
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCCOc1ccc(N2CC(NC(=O)OC)CC2=O)cc1
InChIInChI=1S/C14H18N2O4/c1-3-20-12-6-4-11(5-7-12)16-9-10(8-13(16)17)15-14(18)19-2/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyISLLRKGSBHKKEW-UHFFFAOYSA-N
XLogP1.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate 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

4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 43969973
(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide
CID 11907775
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate (CID 43971090) is methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate is CCOc1ccc(N2CC(NC(=O)OC)CC2=O)cc1.
What is the InChIKey of methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is ISLLRKGSBHKKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-20-12-6-4-11(5-7-12)16-9-10(8-13(16)17)15-14(18)19-2/h4-7,10H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate?
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 278.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 43971090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).