5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C18H19N3O4 — CID 166375052

IUPAC5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc(C(=O)NC)c1
InChIInChI=1S/C18H19N3O4/c1-19-16(22)10-6-11(17(23)20-2)8-12(7-10)21-18(24)14-9-13(14)15-4-3-5-25-15/h3-8,13-14H,9H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t13-,14-/m1/s1
InChIKeyDTNOFXUXVQWIJA-ZIAGYGMSSA-N
MW341.37 g/mol
LogP1.74
Rot. Bonds5

About 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 166375052) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID166375052
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc(C(=O)NC)c1
InChIInChI=1S/C18H19N3O4/c1-19-16(22)10-6-11(17(23)20-2)8-12(7-10)21-18(24)14-9-13(14)15-4-3-5-25-15/h3-8,13-14H,9H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t13-,14-/m1/s1
InChIKeyDTNOFXUXVQWIJA-ZIAGYGMSSA-N
XLogP1.74
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
CID 86851812
methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611
N-[2-(dimethylamino)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449970
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851939
2-(furan-2-yl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopropane-1-carboxamide
CID 71863784

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 166375052) is 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CNC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc(C(=O)NC)c1.
What is the InChIKey of 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is DTNOFXUXVQWIJA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-19-16(22)10-6-11(17(23)20-2)8-12(7-10)21-18(24)14-9-13(14)15-4-3-5-25-15/h3-8,13-14H,9H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t13-,14-/m1/s1.
What are the key properties of 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 166375052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).