1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide

C18H26N2O3 — CID 109132998

IUPAC1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)NCCOC
InChIInChI=1S/C18H26N2O3/c1-4-12-7-6-8-13(5-2)16(12)20-18(22)15-11-14(15)17(21)19-9-10-23-3/h6-8,14-15H,4-5,9-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyVHIHGPYTJBRGIQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.15
Rot. Bonds8

About 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide

1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109132998) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109132998
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)NCCOC
InChIInChI=1S/C18H26N2O3/c1-4-12-7-6-8-13(5-2)16(12)20-18(22)15-11-14(15)17(21)19-9-10-23-3/h6-8,14-15H,4-5,9-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyVHIHGPYTJBRGIQ-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133722
1-N-(2-ethyl-6-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138006
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
2-N-(2-methoxyethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133042
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide (CID 109132998) is 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1CC1C(=O)NCCOC.
What is the InChIKey of 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VHIHGPYTJBRGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-12-7-6-8-13(5-2)16(12)20-18(22)15-11-14(15)17(21)19-9-10-23-3/h6-8,14-15H,4-5,9-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).