1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide

C16H22N2O2 — CID 108970292

IUPAC1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C16H22N2O2/c1-3-11-17-14(19)16(9-10-16)15(20)18-13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZYXOJMBGVKXULU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.49
Rot. Bonds6

About 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide

1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide (PubChem CID 108970292) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
PubChem CID108970292
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C16H22N2O2/c1-3-11-17-14(19)16(9-10-16)15(20)18-13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZYXOJMBGVKXULU-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
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-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981735
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448
1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981761
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980952

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide (CID 108970292) is 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide is CCCNC(=O)C1(C(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The InChIKey is ZYXOJMBGVKXULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-17-14(19)16(9-10-16)15(20)18-13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).