4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide

C20H18N2O4 — CID 108740762

IUPAC4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)Cc2cccc3ccccc23)c1C(N)=O
InChIInChI=1S/C20H18N2O4/c1-11(23)17-12(2)26-20(18(17)19(21)25)22-16(24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyAPJZBWLTORRYLT-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.22
Rot. Bonds5

About 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide

4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide (PubChem CID 108740762) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
PubChem CID108740762
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)Cc2cccc3ccccc23)c1C(N)=O
InChIInChI=1S/C20H18N2O4/c1-11(23)17-12(2)26-20(18(17)19(21)25)22-16(24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyAPJZBWLTORRYLT-UHFFFAOYSA-N
XLogP3.22
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
4-acetyl-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108763332
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-(1-amino-2-methylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119523894
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 103895382

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide (CID 108740762) is 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)Cc2cccc3ccccc23)c1C(N)=O.
What is the InChIKey of 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide?
The InChIKey is APJZBWLTORRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-11(23)17-12(2)26-20(18(17)19(21)25)22-16(24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide?
4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide is sourced from PubChem (CID 108740762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).