N-(2-methoxyethyl)-2,4-dimethylbenzamide

C12H17NO2 — CID 2953373

IUPACN-(2-methoxyethyl)-2,4-dimethylbenzamide
SMILESCOCCNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)12(14)13-6-7-15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyIILHRZFWOCLFFP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds4

About N-(2-methoxyethyl)-2,4-dimethylbenzamide

N-(2-methoxyethyl)-2,4-dimethylbenzamide (PubChem CID 2953373) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4-dimethylbenzamide
PubChem CID2953373
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-methoxyethyl)-2,4-dimethylbenzamide
SMILESCOCCNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)12(14)13-6-7-15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyIILHRZFWOCLFFP-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-2,4-dimethylbenzamide (CID 2953373) is N-(2-methoxyethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4-dimethylbenzamide is COCCNC(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2,4-dimethylbenzamide?
The InChIKey is IILHRZFWOCLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)12(14)13-6-7-15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2,4-dimethylbenzamide?
N-(2-methoxyethyl)-2,4-dimethylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 2953373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).