2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide

C19H28N4O3 — CID 109133046

IUPAC2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-19(25)17-13-16(17)18(24)20-7-12-26-2/h3-6,16-17H,7-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWXYIAYAYYYLLDM-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.78
Rot. Bonds7

About 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109133046) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109133046
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-19(25)17-13-16(17)18(24)20-7-12-26-2/h3-6,16-17H,7-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWXYIAYAYYYLLDM-UHFFFAOYSA-N
XLogP0.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133042
1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132906
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141275
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 110627179
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109133046) is 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is COCCNC(=O)C1CC1C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is WXYIAYAYYYLLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-22-8-10-23(11-9-22)15-5-3-14(4-6-15)21-19(25)17-13-16(17)18(24)20-7-12-26-2/h3-6,16-17H,7-13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).