N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide

C17H19NO3 — CID 61013736

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)cc2)cc1CO
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-8-15(10-14(16)11-19)18-17(20)13-6-4-12(2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyBGYOEFKINWQOFY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.14
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide (PubChem CID 61013736) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
PubChem CID61013736
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)cc2)cc1CO
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-8-15(10-14(16)11-19)18-17(20)13-6-4-12(2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyBGYOEFKINWQOFY-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-[3-(bromomethyl)-4-ethoxyphenyl]-5-methylpyridine-3-carboxamide
CID 114313679
5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79998079

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide (CID 61013736) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)cc2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide?
The InChIKey is BGYOEFKINWQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-16-9-8-15(10-14(16)11-19)18-17(20)13-6-4-12(2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 61013736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).