N-ethoxy-2,4,5-trimethoxybenzamide

C12H17NO5 — CID 46536432

IUPACN-ethoxy-2,4,5-trimethoxybenzamide
SMILESCCONC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H17NO5/c1-5-18-13-12(14)8-6-10(16-3)11(17-4)7-9(8)15-2/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyJOVRXXIROQAACC-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.39
Rot. Bonds6

About N-ethoxy-2,4,5-trimethoxybenzamide

N-ethoxy-2,4,5-trimethoxybenzamide (PubChem CID 46536432) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-ethoxy-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-ethoxy-2,4,5-trimethoxybenzamide
PubChem CID46536432
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN-ethoxy-2,4,5-trimethoxybenzamide
SMILESCCONC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H17NO5/c1-5-18-13-12(14)8-6-10(16-3)11(17-4)7-9(8)15-2/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyJOVRXXIROQAACC-UHFFFAOYSA-N
XLogP1.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
ethyl 2,4,5-trimethoxybenzenecarboperoxoate
CID 173267868
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,4,5-trimethoxybenzamide?
The IUPAC name of N-ethoxy-2,4,5-trimethoxybenzamide (CID 46536432) is N-ethoxy-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-ethoxy-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-ethoxy-2,4,5-trimethoxybenzamide is CCONC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-ethoxy-2,4,5-trimethoxybenzamide?
The InChIKey is JOVRXXIROQAACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-5-18-13-12(14)8-6-10(16-3)11(17-4)7-9(8)15-2/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of N-ethoxy-2,4,5-trimethoxybenzamide?
N-ethoxy-2,4,5-trimethoxybenzamide has a molecular weight of 255.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 46536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).