N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide

C18H21NO3 — CID 9100356

IUPACN-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C18H21NO3/c1-5-22-16-9-8-14(11-17(16)21-4)19-18(20)15-10-12(2)6-7-13(15)3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyYXORSEFYTBIJIK-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.96
Rot. Bonds5

About N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide

N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide (PubChem CID 9100356) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
PubChem CID9100356
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C18H21NO3/c1-5-22-16-9-8-14(11-17(16)21-4)19-18(20)15-10-12(2)6-7-13(15)3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyYXORSEFYTBIJIK-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
CID 18128122
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
N-(4-ethoxy-3-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 17439560
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide (CID 9100356) is N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide is CCOc1ccc(NC(=O)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide?
The InChIKey is YXORSEFYTBIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-22-16-9-8-14(11-17(16)21-4)19-18(20)15-10-12(2)6-7-13(15)3/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide?
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 9100356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).