1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea

C13H19N3O2 — CID 3417354

IUPAC1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)(C)C(=NO)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-13(2,16(4)12(17)14-3)11(15-18)10-8-6-5-7-9-10/h5-9,18H,1-4H3,(H,14,17)
InChIKeyNEAJEMJHSWJZKU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds3

About 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea

1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea (PubChem CID 3417354) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
PubChem CID3417354
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)(C)C(=NO)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-13(2,16(4)12(17)14-3)11(15-18)10-8-6-5-7-9-10/h5-9,18H,1-4H3,(H,14,17)
InChIKeyNEAJEMJHSWJZKU-UHFFFAOYSA-N
XLogP1.91
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
CID 5337789
1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea
CID 134998712
(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
CID 124643608
N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine
CID 173302298
(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
CID 170909172
N-methylbenzamide
CID 11954
methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
CID 74010338
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
1,3-dimethyl-1-[1-(4-methylphenyl)-1-phenylbut-3-enyl]urea
CID 46236336
Lithium benzoate, 99%
CID 57451198
benzene;ethane;1,1,3-trimethylurea
CID 91245695
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea?
The IUPAC name of 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea (CID 3417354) is 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea.
What is the SMILES notation for 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea?
The canonical SMILES for 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea is CNC(=O)N(C)C(C)(C)C(=NO)c1ccccc1.
What is the InChIKey of 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea?
The InChIKey is NEAJEMJHSWJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,16(4)12(17)14-3)11(15-18)10-8-6-5-7-9-10/h5-9,18H,1-4H3,(H,14,17).
What are the key properties of 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea?
1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea has a molecular weight of 249.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea is sourced from PubChem (CID 3417354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).