N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide

C21H27NO4 — CID 1219709

IUPACN-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCC
InChIInChI=1S/C21H27NO4/c1-6-24-18-12-16(13-19(25-7-2)20(18)26-8-3)21(23)22-17-11-9-10-14(4)15(17)5/h9-13H,6-8H2,1-5H3,(H,22,23)
InChIKeyUJYAHTRTBSLFKW-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.75
Rot. Bonds8

About N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide

N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide (PubChem CID 1219709) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
PubChem CID1219709
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCC
InChIInChI=1S/C21H27NO4/c1-6-24-18-12-16(13-19(25-7-2)20(18)26-8-3)21(23)22-17-11-9-10-14(4)15(17)5/h9-13H,6-8H2,1-5H3,(H,22,23)
InChIKeyUJYAHTRTBSLFKW-UHFFFAOYSA-N
XLogP4.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
CID 5015418
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
1-(3-chloro-2-methylphenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea
CID 4084114
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide (CID 1219709) is N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCC.
What is the InChIKey of N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide?
The InChIKey is UJYAHTRTBSLFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-6-24-18-12-16(13-19(25-7-2)20(18)26-8-3)21(23)22-17-11-9-10-14(4)15(17)5/h9-13H,6-8H2,1-5H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide?
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 1219709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).