N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide

C17H19NO3 — CID 112846294

IUPACN-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1cccc(C)c1O
InChIInChI=1S/C17H19NO3/c1-4-21-15-10-11(2)8-9-14(15)18-17(20)13-7-5-6-12(3)16(13)19/h5-10,19H,4H2,1-3H3,(H,18,20)
InChIKeyVJBMFVLWBSCIRO-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.66
Rot. Bonds4

About N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide

N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide (PubChem CID 112846294) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
PubChem CID112846294
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1cccc(C)c1O
InChIInChI=1S/C17H19NO3/c1-4-21-15-10-11(2)8-9-14(15)18-17(20)13-7-5-6-12(3)16(13)19/h5-10,19H,4H2,1-3H3,(H,18,20)
InChIKeyVJBMFVLWBSCIRO-UHFFFAOYSA-N
XLogP3.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
CID 61104309
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide
CID 91684333

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide (CID 112846294) is N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide is CCOc1cc(C)ccc1NC(=O)c1cccc(C)c1O.
What is the InChIKey of N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is VJBMFVLWBSCIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-15-10-11(2)8-9-14(15)18-17(20)13-7-5-6-12(3)16(13)19/h5-10,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide?
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 112846294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).