N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide

C11H15NO2 — CID 89324001

IUPACN-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
SMILESCC(=O)N[C@H](CO)c1cccc(C)c1
InChIInChI=1S/C11H15NO2/c1-8-4-3-5-10(6-8)11(7-13)12-9(2)14/h3-6,11,13H,7H2,1-2H3,(H,12,14)/t11-/m1/s1
InChIKeyCCGBSBPEVWNRQU-LLVKDONJSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds3

About N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide

N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide (PubChem CID 89324001) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
PubChem CID89324001
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
SMILESCC(=O)N[C@H](CO)c1cccc(C)c1
InChIInChI=1S/C11H15NO2/c1-8-4-3-5-10(6-8)11(7-13)12-9(2)14/h3-6,11,13H,7H2,1-2H3,(H,12,14)/t11-/m1/s1
InChIKeyCCGBSBPEVWNRQU-LLVKDONJSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
CID 20635114
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1S)-1-(3-methylphenyl)-2-nitroethyl]acetamide
CID 134954394
N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
CID 177471445
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide (CID 89324001) is N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide is CC(=O)N[C@H](CO)c1cccc(C)c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide?
The InChIKey is CCGBSBPEVWNRQU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-3-5-10(6-8)11(7-13)12-9(2)14/h3-6,11,13H,7H2,1-2H3,(H,12,14)/t11-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide?
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 89324001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).