(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide

C12H17NO3 — CID 140960898

IUPAC(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
SMILESCOc1cccc([C@@H](CO)C(C)C(N)=O)c1
InChIInChI=1S/C12H17NO3/c1-8(12(13)15)11(7-14)9-4-3-5-10(6-9)16-2/h3-6,8,11,14H,7H2,1-2H3,(H2,13,15)/t8?,11-/m0/s1
InChIKeyGMQLUVLUTZYQNJ-LYNSQETBSA-N
MW223.27 g/mol
LogP0.89
Rot. Bonds5

About (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide

(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide (PubChem CID 140960898) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
PubChem CID140960898
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
SMILESCOc1cccc([C@@H](CO)C(C)C(N)=O)c1
InChIInChI=1S/C12H17NO3/c1-8(12(13)15)11(7-14)9-4-3-5-10(6-9)16-2/h3-6,8,11,14H,7H2,1-2H3,(H2,13,15)/t8?,11-/m0/s1
InChIKeyGMQLUVLUTZYQNJ-LYNSQETBSA-N
XLogP0.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
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2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
ethyl (2R,3S)-3-(3-hydroxypropylamino)-2-(3-methoxyphenyl)butanoate
CID 125466926
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492

Frequently Asked Questions

What is the IUPAC name of (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide (CID 140960898) is (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide is COc1cccc([C@@H](CO)C(C)C(N)=O)c1.
What is the InChIKey of (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide?
The InChIKey is GMQLUVLUTZYQNJ-LYNSQETBSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(12(13)15)11(7-14)9-4-3-5-10(6-9)16-2/h3-6,8,11,14H,7H2,1-2H3,(H2,13,15)/t8?,11-/m0/s1.
What are the key properties of (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide?
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide has a molecular weight of 223.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 140960898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).