N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide

C17H19N3O4 — CID 43043446

IUPACN-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C17H19N3O4/c1-11(18-16(22)14-8-5-9-24-14)15(21)19-13-7-4-6-12(10-13)17(23)20(2)3/h4-11H,1-3H3,(H,18,22)(H,19,21)
InChIKeyCWBAWAOOYGOHQJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.74
Rot. Bonds5

About N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 43043446) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID43043446
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C17H19N3O4/c1-11(18-16(22)14-8-5-9-24-14)15(21)19-13-7-4-6-12(10-13)17(23)20(2)3/h4-11H,1-3H3,(H,18,22)(H,19,21)
InChIKeyCWBAWAOOYGOHQJ-UHFFFAOYSA-N
XLogP1.74
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738110
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 43043446) is N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is CWBAWAOOYGOHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(18-16(22)14-8-5-9-24-14)15(21)19-13-7-4-6-12(10-13)17(23)20(2)3/h4-11H,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43043446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).