(3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one

C14H21NO2 — CID 131856740

IUPAC(3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one
SMILESCON[C@@H](CC(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)9-13(15-17-3)10-14(16)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t13-/m1/s1
InChIKeyUGSXYLUKWDNEAO-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.83
Rot. Bonds7

About (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one

(3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one (PubChem CID 131856740) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one.

Molecular Properties

Compound Name(3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one
PubChem CID131856740
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one
SMILESCON[C@@H](CC(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)9-13(15-17-3)10-14(16)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t13-/m1/s1
InChIKeyUGSXYLUKWDNEAO-CYBMUJFWSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.83
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

2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one
CID 100941920
methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
CID 58174664
3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 13442249
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
methyl 2-hydrazinyl-4-oxo-4-phenylbutanoate
CID 174431465
trimethyl 4-oxo-4-phenylbutane-1,1,2-tricarboxylate
CID 122393835
methyl 3-(2,6-dimethylheptan-4-ylamino)benzoate
CID 43321744
methyl 4-methyl-2-[[6-oxo-6-phenyl-4-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanoate
CID 123478644
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one?
The IUPAC name of (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one (CID 131856740) is (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one.
What is the SMILES notation for (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one?
The canonical SMILES for (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one is CON[C@@H](CC(=O)c1ccccc1)CC(C)C.
What is the InChIKey of (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one?
The InChIKey is UGSXYLUKWDNEAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)9-13(15-17-3)10-14(16)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one?
(3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxyamino)-5-methyl-1-phenylhexan-1-one is sourced from PubChem (CID 131856740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).