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

C17H17N3O2 — CID 140967408

IUPAC1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)18-17(22)19-15-13-5-3-4-6-14(13)20(2)16(15)21/h3-10,15H,1-2H3,(H2,18,19,22)
InChIKeyJRYGFAJYXHXDCB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.83
Rot. Bonds2

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

1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea (PubChem CID 140967408) 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-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea
PubChem CID140967408
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)18-17(22)19-15-13-5-3-4-6-14(13)20(2)16(15)21/h3-10,15H,1-2H3,(H2,18,19,22)
InChIKeyJRYGFAJYXHXDCB-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(4-methylphenyl)urea
CID 67834652
1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
CID 7446709
1-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]-3-phenylurea
CID 22013041
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
1-(4-chlorophenyl)-3-[1-(2,2-diethoxyethyl)-2-oxo-3H-indol-3-yl]urea
CID 22012987
11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 4197491
carbanide;1-(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)-3-methylurea;molecular iodine;yttrium
CID 162051104
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
CID 82236769
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51973716
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
CID 82238882

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea (CID 140967408) is 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is JRYGFAJYXHXDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)18-17(22)19-15-13-5-3-4-6-14(13)20(2)16(15)21/h3-10,15H,1-2H3,(H2,18,19,22).
What are the key properties of 1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea?
1-(1-methyl-2-oxo-3H-indol-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 295.34 g/mol, XLogP of 2.83, 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-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 140967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).