1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea

C17H17N3O2 — CID 30375662

IUPAC1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C17H17N3O2/c1-11-3-5-13(6-4-11)18-17(22)19-14-7-8-15-12(9-14)10-16(21)20(15)2/h3-9H,10H2,1-2H3,(H2,18,19,22)
InChIKeyLGQXOGOGTKMMKY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.16
Rot. Bonds2

About 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea

1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea (PubChem CID 30375662) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
PubChem CID30375662
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C17H17N3O2/c1-11-3-5-13(6-4-11)18-17(22)19-14-7-8-15-12(9-14)10-16(21)20(15)2/h3-9H,10H2,1-2H3,(H2,18,19,22)
InChIKeyLGQXOGOGTKMMKY-UHFFFAOYSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(2,4-dimethoxyphenyl)-3-(1-methyl-2-oxo-3H-indol-5-yl)urea
CID 30375715
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
2-(1,3-dioxoisoindol-2-yl)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 27421729

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea (CID 30375662) is 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1.
What is the InChIKey of 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea?
The InChIKey is LGQXOGOGTKMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-3-5-13(6-4-11)18-17(22)19-14-7-8-15-12(9-14)10-16(21)20(15)2/h3-9H,10H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea?
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea has a molecular weight of 295.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 30375662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).