N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide

C13H15NO3 — CID 58917970

IUPACN-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCON(C)C(=O)c1oc2cc(C)ccc2c1C
InChIInChI=1S/C13H15NO3/c1-8-5-6-10-9(2)12(17-11(10)7-8)13(15)14(3)16-4/h5-7H,1-4H3
InChIKeyILUIJHDVQQAFLL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.68
Rot. Bonds2

About N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide

N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 58917970) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID58917970
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCON(C)C(=O)c1oc2cc(C)ccc2c1C
InChIInChI=1S/C13H15NO3/c1-8-5-6-10-9(2)12(17-11(10)7-8)13(15)14(3)16-4/h5-7H,1-4H3
InChIKeyILUIJHDVQQAFLL-UHFFFAOYSA-N
XLogP2.68
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
1-[(7-Fluoro-3-methyl-1-benzofuran-2-yl)carbonyl]-3-(methoxymethyl)pyrrolidine
CID 23723907
2-Benzofurancarboxamide, N-methyl-
CID 660372
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
N-cyclopropyl-1-benzofuran-2-carboxamide
CID 894902
(4-Benzylpiperazin-1-yl)(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 1034152
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301
1-[4-(1-Benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 2116981

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide (CID 58917970) is N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide is CON(C)C(=O)c1oc2cc(C)ccc2c1C.
What is the InChIKey of N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ILUIJHDVQQAFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-6-10-9(2)12(17-11(10)7-8)13(15)14(3)16-4/h5-7H,1-4H3.
What are the key properties of N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide?
N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58917970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).