(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide

C15H23NO3 — CID 11777634

IUPAC(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
SMILESCCC[C@H](O)[C@H](CC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-6-14(17)13(5-2)15(18)16-11-7-9-12(19-3)10-8-11/h7-10,13-14,17H,4-6H2,1-3H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyPRCFKXQCULSTAQ-KBPBESRZSA-N
MW265.35 g/mol
LogP2.82
Rot. Bonds7

About (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide

(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide (PubChem CID 11777634) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
PubChem CID11777634
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
SMILESCCC[C@H](O)[C@H](CC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-6-14(17)13(5-2)15(18)16-11-7-9-12(19-3)10-8-11/h7-10,13-14,17H,4-6H2,1-3H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyPRCFKXQCULSTAQ-KBPBESRZSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide 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

(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
CID 26584930
(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538151
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
CID 18894350
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
CID 11729459
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide?
The IUPAC name of (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide (CID 11777634) is (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide?
The canonical SMILES for (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide is CCC[C@H](O)[C@H](CC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide?
The InChIKey is PRCFKXQCULSTAQ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-14(17)13(5-2)15(18)16-11-7-9-12(19-3)10-8-11/h7-10,13-14,17H,4-6H2,1-3H3,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide?
(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide has a molecular weight of 265.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 11777634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).