1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide

C13H24N2O2 — CID 108970270

IUPAC1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)NCCC)CC1
InChIInChI=1S/C13H24N2O2/c1-4-6-10-15(3)12(17)13(7-8-13)11(16)14-9-5-2/h4-10H2,1-3H3,(H,14,16)
InChIKeySGVOUKLVSNPHSP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds7

About 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide (PubChem CID 108970270) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
PubChem CID108970270
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)NCCC)CC1
InChIInChI=1S/C13H24N2O2/c1-4-6-10-15(3)12(17)13(7-8-13)11(16)14-9-5-2/h4-10H2,1-3H3,(H,14,16)
InChIKeySGVOUKLVSNPHSP-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108973461
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979955
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide (CID 108970270) is 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)NCCC)CC1.
What is the InChIKey of 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide?
The InChIKey is SGVOUKLVSNPHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-6-10-15(3)12(17)13(7-8-13)11(16)14-9-5-2/h4-10H2,1-3H3,(H,14,16).
What are the key properties of 1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 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-1-N-propylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).