1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea

C23H26N4O3 — CID 18564333

IUPAC1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
SMILESCCOc1ccc(N2CC(NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-3-30-20-7-5-19(6-8-20)27-14-18(12-22(27)28)26-23(29)24-13-16-4-9-21-17(11-16)10-15(2)25-21/h4-11,18,25H,3,12-14H2,1-2H3,(H2,24,26,29)
InChIKeyBJKBEHFXJNALPZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.48
Rot. Bonds6

About 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea

1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea (PubChem CID 18564333) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
PubChem CID18564333
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
SMILESCCOc1ccc(N2CC(NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-3-30-20-7-5-19(6-8-20)27-14-18(12-22(27)28)26-23(29)24-13-16-4-9-21-17(11-16)10-15(2)25-21/h4-11,18,25H,3,12-14H2,1-2H3,(H2,24,26,29)
InChIKeyBJKBEHFXJNALPZ-UHFFFAOYSA-N
XLogP3.48
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 7546128
1-[(4-chlorophenyl)methyl]-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564309
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7545857
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 43969973
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
1-(2,2-dimethoxyethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545984
1-[2-(dimethylamino)ethyl]-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545997
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 7513965
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea (CID 18564333) is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea is CCOc1ccc(N2CC(NC(=O)NCc3ccc4[nH]c(C)cc4c3)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The InChIKey is BJKBEHFXJNALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-20-7-5-19(6-8-20)27-14-18(12-22(27)28)26-23(29)24-13-16-4-9-21-17(11-16)10-15(2)25-21/h4-11,18,25H,3,12-14H2,1-2H3,(H2,24,26,29).
What are the key properties of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea has a molecular weight of 406.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea is sourced from PubChem (CID 18564333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).