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

C16H17NO4 — CID 61014959

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(O)cc2)cc1CO
InChIInChI=1S/C16H17NO4/c1-2-21-15-8-5-13(9-12(15)10-18)17-16(20)11-3-6-14(19)7-4-11/h3-9,18-19H,2,10H2,1H3,(H,17,20)
InChIKeyVZCWKKMDPWMREW-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.54
Rot. Bonds5

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

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide (PubChem CID 61014959) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
PubChem CID61014959
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(O)cc2)cc1CO
InChIInChI=1S/C16H17NO4/c1-2-21-15-8-5-13(9-12(15)10-18)17-16(20)11-3-6-14(19)7-4-11/h3-9,18-19H,2,10H2,1H3,(H,17,20)
InChIKeyVZCWKKMDPWMREW-UHFFFAOYSA-N
XLogP2.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
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
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
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
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide (CID 61014959) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide is CCOc1ccc(NC(=O)c2ccc(O)cc2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide?
The InChIKey is VZCWKKMDPWMREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-21-15-8-5-13(9-12(15)10-18)17-16(20)11-3-6-14(19)7-4-11/h3-9,18-19H,2,10H2,1H3,(H,17,20).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide has a molecular weight of 287.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 61014959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).