1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide

C18H20N2O4 — CID 108974666

IUPAC1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C18H20N2O4/c1-12-5-6-15(23-2)14(10-12)20-17(22)18(7-8-18)16(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBAAYZVOQRVAISR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.63
Rot. Bonds6

About 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974666) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974666
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C18H20N2O4/c1-12-5-6-15(23-2)14(10-12)20-17(22)18(7-8-18)16(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBAAYZVOQRVAISR-UHFFFAOYSA-N
XLogP2.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(furan-2-ylmethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974641
1-N'-(2-methoxy-5-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976865
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
5-(furan-2-ylmethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109187758
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982691
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974716
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108974666) is 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(C)cc1NC(=O)C1(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BAAYZVOQRVAISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-5-6-15(23-2)14(10-12)20-17(22)18(7-8-18)16(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).