1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

C13H22N2O2 — CID 109131092

IUPAC1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)N(C)CCCC
InChIInChI=1S/C13H22N2O2/c1-4-6-8-15(3)13(17)11-9-10(11)12(16)14-7-5-2/h5,10-11H,2,4,6-9H2,1,3H3,(H,14,16)
InChIKeyZHFAOENARLCOAU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.18
Rot. Bonds7

About 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (PubChem CID 109131092) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
PubChem CID109131092
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)N(C)CCCC
InChIInChI=1S/C13H22N2O2/c1-4-6-8-15(3)13(17)11-9-10(11)12(16)14-7-5-2/h5,10-11H,2,4,6-9H2,1,3H3,(H,14,16)
InChIKeyZHFAOENARLCOAU-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134850
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245
1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131116
1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138562
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140207
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140206
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140200
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (CID 109131092) is 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is C=CCNC(=O)C1CC1C(=O)N(C)CCCC.
What is the InChIKey of 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The InChIKey is ZHFAOENARLCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-8-15(3)13(17)11-9-10(11)12(16)14-7-5-2/h5,10-11H,2,4,6-9H2,1,3H3,(H,14,16).
What are the key properties of 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-methyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).