N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide

C22H21NO5 — CID 51039429

IUPACN-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(-c2ccc(C(=O)NCc3ccccc3)c(O)c2)cc(OC)c1O
InChIInChI=1S/C22H21NO5/c1-27-19-11-16(12-20(28-2)21(19)25)15-8-9-17(18(24)10-15)22(26)23-13-14-6-4-3-5-7-14/h3-12,24-25H,13H2,1-2H3,(H,23,26)
InChIKeyXGHKGNLWTRRFHW-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.71
Rot. Bonds6

About N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide

N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide (PubChem CID 51039429) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide
PubChem CID51039429
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(-c2ccc(C(=O)NCc3ccccc3)c(O)c2)cc(OC)c1O
InChIInChI=1S/C22H21NO5/c1-27-19-11-16(12-20(28-2)21(19)25)15-8-9-17(18(24)10-15)22(26)23-13-14-6-4-3-5-7-14/h3-12,24-25H,13H2,1-2H3,(H,23,26)
InChIKeyXGHKGNLWTRRFHW-UHFFFAOYSA-N
XLogP3.71
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 25096901
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate
CID 11566333
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60508987
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide?
The IUPAC name of N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide (CID 51039429) is N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide?
The canonical SMILES for N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide is COc1cc(-c2ccc(C(=O)NCc3ccccc3)c(O)c2)cc(OC)c1O.
What is the InChIKey of N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide?
The InChIKey is XGHKGNLWTRRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-27-19-11-16(12-20(28-2)21(19)25)15-8-9-17(18(24)10-15)22(26)23-13-14-6-4-3-5-7-14/h3-12,24-25H,13H2,1-2H3,(H,23,26).
What are the key properties of N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide?
N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide has a molecular weight of 379.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 51039429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).