6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane

C23H33NO — CID 144673539

IUPAC6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
SMILESCC.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO.C2H6/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2/h6-15,17H,5,16H2,1-4H3;1-2H3
InChIKeyBGGSRRZBXVQAIW-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.32
Rot. Bonds7

About 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane

6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane (PubChem CID 144673539) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane.

Molecular Properties

Compound Name6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
PubChem CID144673539
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
SMILESCC.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO.C2H6/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2/h6-15,17H,5,16H2,1-4H3;1-2H3
InChIKeyBGGSRRZBXVQAIW-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
(4S,6R)-6-(dimethylamino)-4-phenyl-4-(2,3,6-trifluorophenyl)heptan-3-one
CID 164732602
5-butan-2-yl-5-ethyl-1,3-diazinane-2,4,6-trione;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 70561400
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409
6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole
CID 174979637
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 11628651
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane?
The IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane (CID 144673539) is 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane.
What is the SMILES notation for 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane?
The canonical SMILES for 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane is CC.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane?
The InChIKey is BGGSRRZBXVQAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.C2H6/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2/h6-15,17H,5,16H2,1-4H3;1-2H3.
What are the key properties of 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane?
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane has a molecular weight of 339.52 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane is sourced from PubChem (CID 144673539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).