1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea

C13H17N3O2 — CID 115169226

IUPAC1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
SMILESCNC(=O)N(C)Cc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17N3O2/c1-14-13(18)15(2)8-9-4-5-11-10(6-9)7-12(17)16(11)3/h4-6H,7-8H2,1-3H3,(H,14,18)
InChIKeySKLDZJWCCOPUMU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.98
Rot. Bonds2

About 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea

1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea (PubChem CID 115169226) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
PubChem CID115169226
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
SMILESCNC(=O)N(C)Cc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17N3O2/c1-14-13(18)15(2)8-9-4-5-11-10(6-9)7-12(17)16(11)3/h4-6H,7-8H2,1-3H3,(H,14,18)
InChIKeySKLDZJWCCOPUMU-UHFFFAOYSA-N
XLogP0.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
CID 115121498
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
1-methyl-5-[2-methyl-2-(methylamino)propyl]-3H-indol-2-one
CID 82289780
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
The IUPAC name of 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea (CID 115169226) is 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea is CNC(=O)N(C)Cc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
The InChIKey is SKLDZJWCCOPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-13(18)15(2)8-9-4-5-11-10(6-9)7-12(17)16(11)3/h4-6H,7-8H2,1-3H3,(H,14,18).
What are the key properties of 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea?
1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea has a molecular weight of 247.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea is sourced from PubChem (CID 115169226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).