N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide

C16H17NO5 — CID 769317

IUPACN-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C16H17NO5/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)17-11-4-6-12(18)7-5-11/h4-9,18H,1-3H3,(H,17,19)
InChIKeyPZIHJGHUNPWCFT-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.67
Rot. Bonds5

About N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide

N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 769317) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide
PubChem CID769317
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C16H17NO5/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)17-11-4-6-12(18)7-5-11/h4-9,18H,1-3H3,(H,17,19)
InChIKeyPZIHJGHUNPWCFT-UHFFFAOYSA-N
XLogP2.67
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Avenanthramide B
CID 10087955
3-Methoxy-O-demethylencainide
CID 54737
3,4,5-Trihydroxy-N-Phenylbenzamide
CID 80427
N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide
CID 2321450
3,4,5-Trimethoxybenzanilide
CID 305103
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
CID 1139102
1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl)urea
CID 49780368
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 2304675
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide (CID 769317) is N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is PZIHJGHUNPWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)17-11-4-6-12(18)7-5-11/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 303.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 769317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).