2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide

C16H17NO3 — CID 1234633

IUPAC2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C16H17NO3/c1-3-20-15-7-5-4-6-13(15)16(19)17-14-9-8-12(18)10-11(14)2/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyLNBJHEOMRNMURM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.35
Rot. Bonds4

About 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide

2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide (PubChem CID 1234633) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
PubChem CID1234633
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C16H17NO3/c1-3-20-15-7-5-4-6-13(15)16(19)17-14-9-8-12(18)10-11(14)2/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyLNBJHEOMRNMURM-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-amino-N-(2-ethoxyphenyl)-5-hydroxybenzamide
CID 107073822
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide (CID 1234633) is 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide is CCOc1ccccc1C(=O)Nc1ccc(O)cc1C.
What is the InChIKey of 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide?
The InChIKey is LNBJHEOMRNMURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-20-15-7-5-4-6-13(15)16(19)17-14-9-8-12(18)10-11(14)2/h4-10,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide?
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 1234633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).