(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one

C20H21NO — CID 71123532

IUPAC(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one
SMILESC[C@@H](CC(=O)Cc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-15(11-16-7-3-2-4-8-16)12-18(22)13-17-14-21-20-10-6-5-9-19(17)20/h2-10,14-15,21H,11-13H2,1H3/t15-/m1/s1
InChIKeyPTBQWLQRHYOVCD-OAHLLOKOSA-N
MW291.39 g/mol
LogP4.55
Rot. Bonds6

About (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one

(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one (PubChem CID 71123532) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one.

Molecular Properties

Compound Name(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one
PubChem CID71123532
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one
SMILESC[C@@H](CC(=O)Cc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-15(11-16-7-3-2-4-8-16)12-18(22)13-17-14-21-20-10-6-5-9-19(17)20/h2-10,14-15,21H,11-13H2,1H3/t15-/m1/s1
InChIKeyPTBQWLQRHYOVCD-OAHLLOKOSA-N
XLogP4.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-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-ethyl-4-(1H-indol-3-yl)-3-oxobutanoic acid
CID 160676695
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
CID 87710053
CID 87710053
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
CID 10252147
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
(2S)-2-hydroxy-1-(1H-indol-3-yl)-4-methylhexan-3-one
CID 177454435
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid
CID 18750630
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 145458227

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one?
The IUPAC name of (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one (CID 71123532) is (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one.
What is the SMILES notation for (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one?
The canonical SMILES for (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one is C[C@@H](CC(=O)Cc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one?
The InChIKey is PTBQWLQRHYOVCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NO/c1-15(11-16-7-3-2-4-8-16)12-18(22)13-17-14-21-20-10-6-5-9-19(17)20/h2-10,14-15,21H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one?
(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one is sourced from PubChem (CID 71123532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).