4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide

C12H13NO3 — CID 141073028

IUPAC4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1c(C)ccc2oc(C(N)=O)c(C)c12
InChIInChI=1S/C12H13NO3/c1-6-4-5-8-9(10(6)15-3)7(2)11(16-8)12(13)14/h4-5H,1-3H3,(H2,13,14)
InChIKeyMYUJRFMGYFTTHI-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.16
Rot. Bonds2

About 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide

4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 141073028) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID141073028
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1c(C)ccc2oc(C(N)=O)c(C)c12
InChIInChI=1S/C12H13NO3/c1-6-4-5-8-9(10(6)15-3)7(2)11(16-8)12(13)14/h4-5H,1-3H3,(H2,13,14)
InChIKeyMYUJRFMGYFTTHI-UHFFFAOYSA-N
XLogP2.16
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 135358335
3-methyl-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 174597785
4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 6459529
N-[5-(5-carbamoylfuran-2-yl)-2-methylphenyl]-3-methoxy-1-benzofuran-2-carboxamide
CID 171133916
3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117319634
(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
CID 61147125
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
4,5,6-trimethyl-1-oxoisochromene-3-carboxylic acid
CID 21423673
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
3,6-dimethylfuro[2,3-b]pyridine-2-carboxamide
CID 143374767
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
4-methoxy-5-methyl-1-benzofuran
CID 22940027

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 141073028) is 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide is COc1c(C)ccc2oc(C(N)=O)c(C)c12.
What is the InChIKey of 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is MYUJRFMGYFTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-6-4-5-8-9(10(6)15-3)7(2)11(16-8)12(13)14/h4-5H,1-3H3,(H2,13,14).
What are the key properties of 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide?
4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 141073028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).