1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide

C17H25N3O4 — CID 108973517

IUPAC1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C(=O)NCCN(C)C)CC2)c1
InChIInChI=1S/C17H25N3O4/c1-20(2)10-9-18-15(21)17(7-8-17)16(22)19-13-11-12(23-3)5-6-14(13)24-4/h5-6,11H,7-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyMHXFULRHQMFFQG-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.10
Rot. Bonds8

About 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108973517) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108973517
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C(=O)NCCN(C)C)CC2)c1
InChIInChI=1S/C17H25N3O4/c1-20(2)10-9-18-15(21)17(7-8-17)16(22)19-13-11-12(23-3)5-6-14(13)24-4/h5-6,11H,7-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyMHXFULRHQMFFQG-UHFFFAOYSA-N
XLogP1.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983285
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982042
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973512
methyl 4-chloro-3-[[1-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108973530

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide (CID 108973517) is 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide is COc1ccc(OC)c(NC(=O)C2(C(=O)NCCN(C)C)CC2)c1.
What is the InChIKey of 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MHXFULRHQMFFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-20(2)10-9-18-15(21)17(7-8-17)16(22)19-13-11-12(23-3)5-6-14(13)24-4/h5-6,11H,7-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).