3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide

C16H17NO4 — CID 79589957

IUPAC3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CO)c2)cc1O
InChIInChI=1S/C16H17NO4/c1-21-15-6-5-13(8-14(15)19)16(20)17-9-11-3-2-4-12(7-11)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyCBIQKZPLZGCHSF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.82
Rot. Bonds5

About 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide

3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 79589957) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
PubChem CID79589957
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CO)c2)cc1O
InChIInChI=1S/C16H17NO4/c1-21-15-6-5-13(8-14(15)19)16(20)17-9-11-3-2-4-12(7-11)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyCBIQKZPLZGCHSF-UHFFFAOYSA-N
XLogP1.82
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide (CID 79589957) is 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(CO)c2)cc1O.
What is the InChIKey of 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is CBIQKZPLZGCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-15-6-5-13(8-14(15)19)16(20)17-9-11-3-2-4-12(7-11)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide?
3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 79589957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).