1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

C17H24N2O4 — CID 109133203

IUPAC1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)NCCCOC)cc1
InChIInChI=1S/C17H24N2O4/c1-3-23-13-7-5-12(6-8-13)19-17(21)15-11-14(15)16(20)18-9-4-10-22-2/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIYWJTZOFOSEWPI-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.81
Rot. Bonds9

About 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133203) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133203
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)NCCCOC)cc1
InChIInChI=1S/C17H24N2O4/c1-3-23-13-7-5-12(6-8-13)19-17(21)15-11-14(15)16(20)18-9-4-10-22-2/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIYWJTZOFOSEWPI-UHFFFAOYSA-N
XLogP1.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135235
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (CID 109133203) is 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is CCOc1ccc(NC(=O)C2CC2C(=O)NCCCOC)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is IYWJTZOFOSEWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-23-13-7-5-12(6-8-13)19-17(21)15-11-14(15)16(20)18-9-4-10-22-2/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).