N-ethoxy-3,5-dimethoxy-4-methylbenzamide

C12H17NO4 — CID 52555843

IUPACN-ethoxy-3,5-dimethoxy-4-methylbenzamide
SMILESCCONC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-5-17-13-12(14)9-6-10(15-3)8(2)11(7-9)16-4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyIVRNMHYFFXOPNQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.69
Rot. Bonds5

About N-ethoxy-3,5-dimethoxy-4-methylbenzamide

N-ethoxy-3,5-dimethoxy-4-methylbenzamide (PubChem CID 52555843) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-ethoxy-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-ethoxy-3,5-dimethoxy-4-methylbenzamide
PubChem CID52555843
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-ethoxy-3,5-dimethoxy-4-methylbenzamide
SMILESCCONC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-5-17-13-12(14)9-6-10(15-3)8(2)11(7-9)16-4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyIVRNMHYFFXOPNQ-UHFFFAOYSA-N
XLogP1.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
N-ethoxy-2,4,5-trimethoxybenzamide
CID 46536432
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 107847342
N-(3,5-dichlorophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 4830381
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 62675124
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-ethoxy-3,5-dimethoxy-4-methylbenzamide (CID 52555843) is N-ethoxy-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-ethoxy-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-ethoxy-3,5-dimethoxy-4-methylbenzamide is CCONC(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of N-ethoxy-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is IVRNMHYFFXOPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-5-17-13-12(14)9-6-10(15-3)8(2)11(7-9)16-4/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of N-ethoxy-3,5-dimethoxy-4-methylbenzamide?
N-ethoxy-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 52555843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).