N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide

C20H25NO6 — CID 51126519

IUPACN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(COCC(O)CNC(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H25NO6/c1-24-16-6-4-14(5-7-16)12-27-13-15(22)11-21-20(23)18-10-17(25-2)8-9-19(18)26-3/h4-10,15,22H,11-13H2,1-3H3,(H,21,23)
InChIKeyHLSZQKJMHUHNJU-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.02
Rot. Bonds10

About N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide

N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide (PubChem CID 51126519) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
PubChem CID51126519
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(COCC(O)CNC(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H25NO6/c1-24-16-6-4-14(5-7-16)12-27-13-15(22)11-21-20(23)18-10-17(25-2)8-9-19(18)26-3/h4-10,15,22H,11-13H2,1-3H3,(H,21,23)
InChIKeyHLSZQKJMHUHNJU-UHFFFAOYSA-N
XLogP2.02
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide (CID 51126519) is N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide is COc1ccc(COCC(O)CNC(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide?
The InChIKey is HLSZQKJMHUHNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-24-16-6-4-14(5-7-16)12-27-13-15(22)11-21-20(23)18-10-17(25-2)8-9-19(18)26-3/h4-10,15,22H,11-13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide?
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide has a molecular weight of 375.42 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 51126519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).