N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide

C18H21NO4 — CID 2596685

IUPACN-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C18H21NO4/c1-11-6-7-12(2)14(8-11)19-18(20)13-9-16(22-4)17(23-5)10-15(13)21-3/h6-10H,1-5H3,(H,19,20)
InChIKeyDMUZUDNMMFMWMZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.58
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide

N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 2596685) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID2596685
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C18H21NO4/c1-11-6-7-12(2)14(8-11)19-18(20)13-9-16(22-4)17(23-5)10-15(13)21-3/h6-10H,1-5H3,(H,19,20)
InChIKeyDMUZUDNMMFMWMZ-UHFFFAOYSA-N
XLogP3.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-methoxy-4-methylbenzamide
CID 136533897
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-(2,5-dimethylphenyl)-4-methoxy-2-propan-2-yloxybenzamide
CID 119046619
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide (CID 2596685) is N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is DMUZUDNMMFMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-6-7-12(2)14(8-11)19-18(20)13-9-16(22-4)17(23-5)10-15(13)21-3/h6-10H,1-5H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide?
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 2596685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).