N-(4-ethylphenyl)-2,6-dimethoxybenzamide

C17H19NO3 — CID 596670

IUPACN-(4-ethylphenyl)-2,6-dimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C17H19NO3/c1-4-12-8-10-13(11-9-12)18-17(19)16-14(20-2)6-5-7-15(16)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyXBXAHRVSAHERTM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.52
Rot. Bonds5

About N-(4-ethylphenyl)-2,6-dimethoxybenzamide

N-(4-ethylphenyl)-2,6-dimethoxybenzamide (PubChem CID 596670) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,6-dimethoxybenzamide
PubChem CID596670
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(4-ethylphenyl)-2,6-dimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C17H19NO3/c1-4-12-8-10-13(11-9-12)18-17(19)16-14(20-2)6-5-7-15(16)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyXBXAHRVSAHERTM-UHFFFAOYSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
CID 100789404
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
CID 75381688
N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
CID 65433013
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4-ethylphenyl)-2,6-dimethoxybenzamide (CID 596670) is N-(4-ethylphenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2,6-dimethoxybenzamide is CCc1ccc(NC(=O)c2c(OC)cccc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,6-dimethoxybenzamide?
The InChIKey is XBXAHRVSAHERTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-12-8-10-13(11-9-12)18-17(19)16-14(20-2)6-5-7-15(16)21-3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-2,6-dimethoxybenzamide?
N-(4-ethylphenyl)-2,6-dimethoxybenzamide has a molecular weight of 285.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 596670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).