2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

C17H27NO3 — CID 109380671

IUPAC2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C17H27NO3/c1-6-21-14-10-8-7-9-13(14)16(20)18-11-17(4,5)15(19)12(2)3/h7-10,12,15,19H,6,11H2,1-5H3,(H,18,20)
InChIKeyHOKISAOVUYLGPW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds7

About 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (PubChem CID 109380671) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
PubChem CID109380671
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C17H27NO3/c1-6-21-14-10-8-7-9-13(14)16(20)18-11-17(4,5)15(19)12(2)3/h7-10,12,15,19H,6,11H2,1-5H3,(H,18,20)
InChIKeyHOKISAOVUYLGPW-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
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ethyl 2-[(2-ethoxybenzoyl)amino]acetate
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N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (CID 109380671) is 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is CCOc1ccccc1C(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The InChIKey is HOKISAOVUYLGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-21-14-10-8-7-9-13(14)16(20)18-11-17(4,5)15(19)12(2)3/h7-10,12,15,19H,6,11H2,1-5H3,(H,18,20).
What are the key properties of 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is sourced from PubChem (CID 109380671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).