4-ethyl-N-methoxy-3-methylbenzamide

C11H15NO2 — CID 145366952

IUPAC4-ethyl-N-methoxy-3-methylbenzamide
SMILESCCc1ccc(C(=O)NOC)cc1C
InChIInChI=1S/C11H15NO2/c1-4-9-5-6-10(7-8(9)2)11(13)12-14-3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyVZYBGOUOKPYAPH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.85
Rot. Bonds3

About 4-ethyl-N-methoxy-3-methylbenzamide

4-ethyl-N-methoxy-3-methylbenzamide (PubChem CID 145366952) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethyl-N-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-methoxy-3-methylbenzamide
PubChem CID145366952
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-ethyl-N-methoxy-3-methylbenzamide
SMILESCCc1ccc(C(=O)NOC)cc1C
InChIInChI=1S/C11H15NO2/c1-4-9-5-6-10(7-8(9)2)11(13)12-14-3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyVZYBGOUOKPYAPH-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-N-methoxy-3-methylbenzamide;2-[1-(4-fluorophenyl)ethylsulfanyl]acetaldehyde
CID 145366950
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
3-(chloroamino)-N-methoxy-4-methylbenzamide
CID 89354643
3,4-dihydroxy-N-methoxybenzamide
CID 103956380
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methoxy-3-methylbenzamide?
The IUPAC name of 4-ethyl-N-methoxy-3-methylbenzamide (CID 145366952) is 4-ethyl-N-methoxy-3-methylbenzamide.
What is the SMILES notation for 4-ethyl-N-methoxy-3-methylbenzamide?
The canonical SMILES for 4-ethyl-N-methoxy-3-methylbenzamide is CCc1ccc(C(=O)NOC)cc1C.
What is the InChIKey of 4-ethyl-N-methoxy-3-methylbenzamide?
The InChIKey is VZYBGOUOKPYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-9-5-6-10(7-8(9)2)11(13)12-14-3/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 4-ethyl-N-methoxy-3-methylbenzamide?
4-ethyl-N-methoxy-3-methylbenzamide has a molecular weight of 193.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxy-3-methylbenzamide is sourced from PubChem (CID 145366952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).