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

C15H23NO3 — CID 75501684

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(CO)CC(C)C)cc1O
InChIInChI=1S/C15H23NO3/c1-10(2)6-13(9-17)16-15(19)8-12-5-4-11(3)14(18)7-12/h4-5,7,10,13,17-18H,6,8-9H2,1-3H3,(H,16,19)
InChIKeyYKUOQVIJTFIXTM-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.77
Rot. Bonds6

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

N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide (PubChem CID 75501684) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide
PubChem CID75501684
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(CO)CC(C)C)cc1O
InChIInChI=1S/C15H23NO3/c1-10(2)6-13(9-17)16-15(19)8-12-5-4-11(3)14(18)7-12/h4-5,7,10,13,17-18H,6,8-9H2,1-3H3,(H,16,19)
InChIKeyYKUOQVIJTFIXTM-UHFFFAOYSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide
CID 110004183
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide
CID 111424625
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
CID 61247500
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide (CID 75501684) is N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC(CO)CC(C)C)cc1O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide?
The InChIKey is YKUOQVIJTFIXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)6-13(9-17)16-15(19)8-12-5-4-11(3)14(18)7-12/h4-5,7,10,13,17-18H,6,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 75501684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).