4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide

C16H17NO2 — CID 115598851

IUPAC4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESCCc1ccc(C(=O)NCc2ccccc2O)cc1
InChIInChI=1S/C16H17NO2/c1-2-12-7-9-13(10-8-12)16(19)17-11-14-5-3-4-6-15(14)18/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyYYUSYLJNAFIURR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds4

About 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide

4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 115598851) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID115598851
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESCCc1ccc(C(=O)NCc2ccccc2O)cc1
InChIInChI=1S/C16H17NO2/c1-2-12-7-9-13(10-8-12)16(19)17-11-14-5-3-4-6-15(14)18/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyYYUSYLJNAFIURR-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
4-ethyl-N-[3-[(2-hydroxyphenyl)methylamino]-2-[[(2-hydroxyphenyl)methylamino]methyl]-2-methylpropyl]benzamide
CID 20734030
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide (CID 115598851) is 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide is CCc1ccc(C(=O)NCc2ccccc2O)cc1.
What is the InChIKey of 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is YYUSYLJNAFIURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-12-7-9-13(10-8-12)16(19)17-11-14-5-3-4-6-15(14)18/h3-10,18H,2,11H2,1H3,(H,17,19).
What are the key properties of 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide?
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115598851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).