N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide

C15H23NO2 — CID 103751084

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(CCO)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(8-9-17)16-15(18)10-13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyXRVSENRCUMLLKR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.06
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide (PubChem CID 103751084) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
PubChem CID103751084
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(CCO)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(8-9-17)16-15(18)10-13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyXRVSENRCUMLLKR-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
2-methyl-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 113415884
2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
CID 58709449
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750718
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide (CID 103751084) is N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(CCO)C(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is XRVSENRCUMLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14(8-9-17)16-15(18)10-13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 103751084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).