1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea

C13H19N3O2 — CID 13469997

IUPAC1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
SMILESCNC(=O)NC1=C2CCCC=C2N(C(C)C)C1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)16-10-7-5-4-6-9(10)11(12(16)17)15-13(18)14-3/h7-8H,4-6H2,1-3H3,(H2,14,15,18)
InChIKeyYWEOAPBADNSXPD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds2

About 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea

1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea (PubChem CID 13469997) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
PubChem CID13469997
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
SMILESCNC(=O)NC1=C2CCCC=C2N(C(C)C)C1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)16-10-7-5-4-6-9(10)11(12(16)17)15-13(18)14-3/h7-8H,4-6H2,1-3H3,(H2,14,15,18)
InChIKeyYWEOAPBADNSXPD-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclohexylamino)-1,4,5,6-tetrahydro-indol-2-one
CID 10513774
1-butyl-3-(6-butyl-2-oxo-1H-pyridin-3-yl)urea
CID 19012318
(6,8-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone
CID 66585111
N-cyclohexyl-1,4,6-trimethyl-7,7a-dihydroindole-2-carboxamide
CID 118472694
(1-Butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)urea
CID 140115750
N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
CID 140549493
6,9-Dimethyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-6,8(12)-diene-2,10-dione
CID 143201117
5-cyclohexyl-N-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-imidazo[4,5-c]pyridine-7-carboxamide
CID 1492611
3-Amino-1-isopropyl-5,6-dihydro-1H-indol-2(4H)-one
CID 13469996
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{6-methyl-3-[(methylcarbamoyl)amino]-2-oxo-1,2-dihydropyridin-1-YL}acetamide
CID 53161356
1-[2-(Cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 56794641
1-(1,4-Dimethyl-2-oxo-3-pyridinyl)-3-pentylurea
CID 72100872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
The IUPAC name of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea (CID 13469997) is 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
The canonical SMILES for 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea is CNC(=O)NC1=C2CCCC=C2N(C(C)C)C1=O.
What is the InChIKey of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
The InChIKey is YWEOAPBADNSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)16-10-7-5-4-6-9(10)11(12(16)17)15-13(18)14-3/h7-8H,4-6H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea?
1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea is sourced from PubChem (CID 13469997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).