1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide

C15H22N2O3 — CID 109134850

IUPAC1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O3/c1-3-4-7-17(2)15(19)13-9-12(13)14(18)16-10-11-6-5-8-20-11/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChIKeyBLIRAMPCGRJTTJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.79
Rot. Bonds7

About 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide

1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109134850) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109134850
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O3/c1-3-4-7-17(2)15(19)13-9-12(13)14(18)16-10-11-6-5-8-20-11/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChIKeyBLIRAMPCGRJTTJ-UHFFFAOYSA-N
XLogP1.79
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
2-N-[2-(dimethylamino)ethyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133639
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111158100
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138562
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
3-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111158272
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140200

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109134850) is 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)NCc1ccco1.
What is the InChIKey of 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is BLIRAMPCGRJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-7-17(2)15(19)13-9-12(13)14(18)16-10-11-6-5-8-20-11/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).