3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide

C15H23NO3 — CID 111484140

IUPAC3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
SMILESCCOc1cccc(C(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-19-13-8-6-7-12(9-13)14(17)16-10-15(4,18)11(2)3/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyUJKSDKLJGHPARH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds6

About 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide

3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide (PubChem CID 111484140) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
PubChem CID111484140
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
SMILESCCOc1cccc(C(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-19-13-8-6-7-12(9-13)14(17)16-10-15(4,18)11(2)3/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyUJKSDKLJGHPARH-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120599
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
CID 110495239
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide (CID 111484140) is 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide is CCOc1cccc(C(=O)NCC(C)(O)C(C)C)c1.
What is the InChIKey of 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
The InChIKey is UJKSDKLJGHPARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-13-8-6-7-12(9-13)14(17)16-10-15(4,18)11(2)3/h6-9,11,18H,5,10H2,1-4H3,(H,16,17).
What are the key properties of 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide is sourced from PubChem (CID 111484140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).