3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one

C17H19NO2 — CID 13442249

IUPAC3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
SMILESCONC(CC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)17(19)12-16(18-20-2)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyWUNKWQGGWQAASI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.46
Rot. Bonds6

About 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one

3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one (PubChem CID 13442249) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
PubChem CID13442249
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
SMILESCONC(CC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)17(19)12-16(18-20-2)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyWUNKWQGGWQAASI-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-3-phenylpropan-1-one
CID 101439265
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920
1-(4-methoxyphenyl)-3-(pentylamino)-3-phenylpropan-1-one
CID 139795003
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
CID 2884181

Frequently Asked Questions

What is the IUPAC name of 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one (CID 13442249) is 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one is CONC(CC(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is WUNKWQGGWQAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)17(19)12-16(18-20-2)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3.
What are the key properties of 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 13442249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).