1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C18H26N2O2 — CID 108970496

IUPAC1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-5-13-8-7-9-14(6-2)15(13)20-17(22)18(10-11-18)16(21)19-12(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyAOYJXOKBXIIMAD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.05
Rot. Bonds6

About 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108970496) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108970496
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-5-13-8-7-9-14(6-2)15(13)20-17(22)18(10-11-18)16(21)19-12(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyAOYJXOKBXIIMAD-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.05
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

N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971661
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
1-amino-N-(2,6-diethylphenyl)cyclopropane-1-carboxamide
CID 65463970
1-N'-(2,6-diethylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976338
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980753
1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976686
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
CID 3538975
1-N-(2,5-dimethylphenyl)-1-N'-(2-ethyl-6-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981307
1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108970496) is 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is AOYJXOKBXIIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-13-8-7-9-14(6-2)15(13)20-17(22)18(10-11-18)16(21)19-12(3)4/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).