N-ethoxy-3-methylbenzamide

C10H13NO2 — CID 60717047

IUPACN-ethoxy-3-methylbenzamide
SMILESCCONC(=O)c1cccc(C)c1
InChIInChI=1S/C10H13NO2/c1-3-13-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyCRNFAHKUGUDADR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.68
Rot. Bonds3

About N-ethoxy-3-methylbenzamide

N-ethoxy-3-methylbenzamide (PubChem CID 60717047) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-ethoxy-3-methylbenzamide
PubChem CID60717047
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-ethoxy-3-methylbenzamide
SMILESCCONC(=O)c1cccc(C)c1
InChIInChI=1S/C10H13NO2/c1-3-13-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyCRNFAHKUGUDADR-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-methylbenzamide?
The IUPAC name of N-ethoxy-3-methylbenzamide (CID 60717047) is N-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-ethoxy-3-methylbenzamide?
The canonical SMILES for N-ethoxy-3-methylbenzamide is CCONC(=O)c1cccc(C)c1.
What is the InChIKey of N-ethoxy-3-methylbenzamide?
The InChIKey is CRNFAHKUGUDADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-13-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethoxy-3-methylbenzamide?
N-ethoxy-3-methylbenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-methylbenzamide is sourced from PubChem (CID 60717047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).