1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

C23H26N4O2 — CID 43969488

IUPAC1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-16-7-9-20(10-8-16)27-15-19(14-22(27)28)25-23(29)24-11-12-26-17(2)13-18-5-3-4-6-21(18)26/h3-10,13,19H,11-12,14-15H2,1-2H3,(H2,24,25,29)
InChIKeyIWKLJZJCZHNROT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969488) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969488
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC(NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-16-7-9-20(10-8-16)27-15-19(14-22(27)28)25-23(29)24-11-12-26-17(2)13-18-5-3-4-6-21(18)26/h3-10,13,19H,11-12,14-15H2,1-2H3,(H2,24,25,29)
InChIKeyIWKLJZJCZHNROT-UHFFFAOYSA-N
XLogP3.36
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methylindol-1-yl)ethyl]urea
CID 40506729
1-(2-chloroethyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513705
1-[2-(dimethylamino)ethyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513746
benzyl-methyl-[2-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]azanium
CID 7215051
1-[2-[benzyl(methyl)amino]ethyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215050
1-(3-imidazol-1-ylpropyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 40506484
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7513825
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-[2-(diethylamino)ethyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513356
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969488) is 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is Cc1ccc(N2CC(NC(=O)NCCn3c(C)cc4ccccc43)CC2=O)cc1.
What is the InChIKey of 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is IWKLJZJCZHNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-7-9-20(10-8-16)27-15-19(14-22(27)28)25-23(29)24-11-12-26-17(2)13-18-5-3-4-6-21(18)26/h3-10,13,19H,11-12,14-15H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 390.49 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylindol-1-yl)ethyl]-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).