N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide

C16H17NO4 — CID 43397926

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
SMILESCOc1ccc(CNC(=O)c2cccc(O)c2)cc1OC
InChIInChI=1S/C16H17NO4/c1-20-14-7-6-11(8-15(14)21-2)10-17-16(19)12-4-3-5-13(18)9-12/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyQYQDKCOGLLBMQT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.34
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide

N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide (PubChem CID 43397926) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
PubChem CID43397926
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
SMILESCOc1ccc(CNC(=O)c2cccc(O)c2)cc1OC
InChIInChI=1S/C16H17NO4/c1-20-14-7-6-11(8-15(14)21-2)10-17-16(19)12-4-3-5-13(18)9-12/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyQYQDKCOGLLBMQT-UHFFFAOYSA-N
XLogP2.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
CID 74233285

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide (CID 43397926) is N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide is COc1ccc(CNC(=O)c2cccc(O)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide?
The InChIKey is QYQDKCOGLLBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-14-7-6-11(8-15(14)21-2)10-17-16(19)12-4-3-5-13(18)9-12/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 43397926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).