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

C16H22N2O3 — CID 109133163

IUPAC2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)18-16(20)14-10-13(14)15(19)17-8-3-9-21-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyTZPXVQZUXFKJEE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.72
Rot. Bonds7

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

2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133163) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133163
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)18-16(20)14-10-13(14)15(19)17-8-3-9-21-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyTZPXVQZUXFKJEE-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.72
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

2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
2-N-(2-methoxyethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133042
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
2-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133177
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109133046
2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109133163) is 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide is COCCCNC(=O)C1CC1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is TZPXVQZUXFKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-6-12(7-5-11)18-16(20)14-10-13(14)15(19)17-8-3-9-21-2/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).