N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide

C16H17NO4 — CID 115577613

IUPACN-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H17NO4/c1-20-13-7-8-15(21-2)14(9-13)16(19)17-10-11-3-5-12(18)6-4-11/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyXHIQPAMLKYMBDA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.34
Rot. Bonds5

About N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide

N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide (PubChem CID 115577613) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
PubChem CID115577613
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C16H17NO4/c1-20-13-7-8-15(21-2)14(9-13)16(19)17-10-11-3-5-12(18)6-4-11/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyXHIQPAMLKYMBDA-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

2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
(2S)-2-[[3-[[4-(4-hydroxyphenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]methyl]pentanoic acid
CID 139985268
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 55892382
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide (CID 115577613) is N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCc2ccc(O)cc2)c1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide?
The InChIKey is XHIQPAMLKYMBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-13-7-8-15(21-2)14(9-13)16(19)17-10-11-3-5-12(18)6-4-11/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide?
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide 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-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 115577613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).