(6R)-6-(methylamino)-4,4-diphenylheptan-3-one

C20H25NO — CID 131842164

IUPAC(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-4-19(22)20(15-16(2)21-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3/t16-/m1/s1
InChIKeyCXNCTGHWIPMHGB-MRXNPFEDSA-N
MW295.43 g/mol
LogP3.95
Rot. Bonds7

About (6R)-6-(methylamino)-4,4-diphenylheptan-3-one

(6R)-6-(methylamino)-4,4-diphenylheptan-3-one (PubChem CID 131842164) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (6R)-6-(methylamino)-4,4-diphenylheptan-3-one.

Molecular Properties

Compound Name(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
PubChem CID131842164
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-4-19(22)20(15-16(2)21-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3/t16-/m1/s1
InChIKeyCXNCTGHWIPMHGB-MRXNPFEDSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
[(2S,3R)-2-hydroxy-6-oxo-5,5-diphenyloctan-3-yl]-dimethylazanium
CID 164732578
dimethyl-[(4S)-2-methyl-7-oxo-6,6-diphenylnonan-4-yl]azanium
CID 164732553
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
N,N-dimethyl-5-oxo-4,4-diphenylheptan-2-amine oxide
CID 610077
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
6-morpholin-4-yl-4,4-diphenylheptan-3-one
CID 10089
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
6-oxo-5,5-diphenyloctanoic acid
CID 19981505

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(methylamino)-4,4-diphenylheptan-3-one?
The IUPAC name of (6R)-6-(methylamino)-4,4-diphenylheptan-3-one (CID 131842164) is (6R)-6-(methylamino)-4,4-diphenylheptan-3-one.
What is the SMILES notation for (6R)-6-(methylamino)-4,4-diphenylheptan-3-one?
The canonical SMILES for (6R)-6-(methylamino)-4,4-diphenylheptan-3-one is CCC(=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6R)-6-(methylamino)-4,4-diphenylheptan-3-one?
The InChIKey is CXNCTGHWIPMHGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-19(22)20(15-16(2)21-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (6R)-6-(methylamino)-4,4-diphenylheptan-3-one?
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one has a molecular weight of 295.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(methylamino)-4,4-diphenylheptan-3-one is sourced from PubChem (CID 131842164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).