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

C14H21NO2 — CID 79253237

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N[C@H](CO)C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)13(9-16)15-14(17)8-12-6-4-5-11(3)7-12/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyXHPSXNKNUNEBMC-CYBMUJFWSA-N
MW235.33 g/mol
LogP1.67
Rot. Bonds5

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide (PubChem CID 79253237) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
PubChem CID79253237
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N[C@H](CO)C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)13(9-16)15-14(17)8-12-6-4-5-11(3)7-12/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyXHPSXNKNUNEBMC-CYBMUJFWSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 114211535
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
CID 77038382
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252822
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide (CID 79253237) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)N[C@H](CO)C(C)C)c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is XHPSXNKNUNEBMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)13(9-16)15-14(17)8-12-6-4-5-11(3)7-12/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 79253237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).