(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one

C19H31NO2 — CID 142943679

IUPAC(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one
SMILESCC(=O)[C@H](C[C@H](C)CCC(C)(O)Cc1ccccc1)N(C)C
InChIInChI=1S/C19H31NO2/c1-15(13-18(16(2)21)20(4)5)11-12-19(3,22)14-17-9-7-6-8-10-17/h6-10,15,18,22H,11-14H2,1-5H3/t15-,18+,19?/m1/s1
InChIKeyGYHCHTJTFYKSTL-XSFKQQOJSA-N
MW305.46 g/mol
LogP3.31
Rot. Bonds9

About (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one

(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one (PubChem CID 142943679) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one
PubChem CID142943679
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one
SMILESCC(=O)[C@H](C[C@H](C)CCC(C)(O)Cc1ccccc1)N(C)C
InChIInChI=1S/C19H31NO2/c1-15(13-18(16(2)21)20(4)5)11-12-19(3,22)14-17-9-7-6-8-10-17/h6-10,15,18,22H,11-14H2,1-5H3/t15-,18+,19?/m1/s1
InChIKeyGYHCHTJTFYKSTL-XSFKQQOJSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one 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

2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
benzene;(3S,5R)-3-(dimethylamino)-5,8-dimethylnon-8-en-2-one;ethane
CID 142943676
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
CID 102147663
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
2,2-dichloroacetic acid;2-methyl-1-phenylbutan-2-ol
CID 174708997
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
CID 146469685

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one?
The IUPAC name of (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one (CID 142943679) is (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one.
What is the SMILES notation for (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one?
The canonical SMILES for (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one is CC(=O)[C@H](C[C@H](C)CCC(C)(O)Cc1ccccc1)N(C)C.
What is the InChIKey of (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one?
The InChIKey is GYHCHTJTFYKSTL-XSFKQQOJSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(13-18(16(2)21)20(4)5)11-12-19(3,22)14-17-9-7-6-8-10-17/h6-10,15,18,22H,11-14H2,1-5H3/t15-,18+,19?/m1/s1.
What are the key properties of (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one?
(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one has a molecular weight of 305.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one is sourced from PubChem (CID 142943679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).