N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide

C15H23NO3 — CID 103772274

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C15H23NO3/c1-15(2,7-8-17)11-16-14(18)10-12-5-4-6-13(9-12)19-3/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,16,18)
InChIKeyQGMGKRFWXSJTCN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.76
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 103772274) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
PubChem CID103772274
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C15H23NO3/c1-15(2,7-8-17)11-16-14(18)10-12-5-4-6-13(9-12)19-3/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,16,18)
InChIKeyQGMGKRFWXSJTCN-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-(2-amino-2-ethylbutyl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119639628
2-(3-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164393
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide (CID 103772274) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC(C)(C)CCO)c1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is QGMGKRFWXSJTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,7-8-17)11-16-14(18)10-12-5-4-6-13(9-12)19-3/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 103772274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).