4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide

C17H18N2O6 — CID 108763231

IUPAC4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O
InChIInChI=1S/C17H18N2O6/c1-8(20)12-9(2)25-17(14(12)15(18)21)19-16(22)13-10(23-3)6-5-7-11(13)24-4/h5-7H,1-4H3,(H2,18,21)(H,19,22)
InChIKeyMBJSFVKKMCVAPB-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.16
Rot. Bonds6

About 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide (PubChem CID 108763231) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
PubChem CID108763231
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O
InChIInChI=1S/C17H18N2O6/c1-8(20)12-9(2)25-17(14(12)15(18)21)19-16(22)13-10(23-3)6-5-7-11(13)24-4/h5-7H,1-4H3,(H2,18,21)(H,19,22)
InChIKeyMBJSFVKKMCVAPB-UHFFFAOYSA-N
XLogP2.16
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763285
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763257
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
4-acetyl-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108763332
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607
4-acetyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-5-methylfuran-3-carboxamide
CID 108782861
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663
4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
CID 108740762
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
CID 108740715

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide (CID 108763231) is 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide is COc1cccc(OC)c1C(=O)Nc1oc(C)c(C(C)=O)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
The InChIKey is MBJSFVKKMCVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-8(20)12-9(2)25-17(14(12)15(18)21)19-16(22)13-10(23-3)6-5-7-11(13)24-4/h5-7H,1-4H3,(H2,18,21)(H,19,22).
What are the key properties of 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108763231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).