1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea

C18H19N3O2 — CID 150287144

IUPAC1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
SMILESCC1(C)C(=O)Nc2cc(N(Cc3ccccc3)C(N)=O)ccc21
InChIInChI=1S/C18H19N3O2/c1-18(2)14-9-8-13(10-15(14)20-16(18)22)21(17(19)23)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyGGUUZKFEPLAMAZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds3

About 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea

1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea (PubChem CID 150287144) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
PubChem CID150287144
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
SMILESCC1(C)C(=O)Nc2cc(N(Cc3ccccc3)C(N)=O)ccc21
InChIInChI=1S/C18H19N3O2/c1-18(2)14-9-8-13(10-15(14)20-16(18)22)21(17(19)23)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyGGUUZKFEPLAMAZ-UHFFFAOYSA-N
XLogP3.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
1-(4-aminophenyl)-1-benzylurea
CID 154248103
1-(2H-isoindol-5-ylmethyl)-1-phenylurea
CID 91359085
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
CID 110700546
3-[(N-carbamoylanilino)methyl]benzoic acid
CID 67799196
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
CID 54087633
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
1-benzyl-1-(2-bromophenyl)urea
CID 102405499
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
CID 53440487
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
The IUPAC name of 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea (CID 150287144) is 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea.
What is the SMILES notation for 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
The canonical SMILES for 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea is CC1(C)C(=O)Nc2cc(N(Cc3ccccc3)C(N)=O)ccc21.
What is the InChIKey of 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
The InChIKey is GGUUZKFEPLAMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2)14-9-8-13(10-15(14)20-16(18)22)21(17(19)23)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea has a molecular weight of 309.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea is sourced from PubChem (CID 150287144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).