1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide

C20H28N2O4 — CID 108979497

IUPAC1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-15-9-10-17(26-2)16(13-15)22-19(24)20(11-12-20)18(23)21-14-7-5-3-4-6-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOWHKSPBFXFXNHQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.26
Rot. Bonds6

About 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979497) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979497
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-15-9-10-17(26-2)16(13-15)22-19(24)20(11-12-20)18(23)21-14-7-5-3-4-6-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOWHKSPBFXFXNHQ-UHFFFAOYSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
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'-(2,5-dimethoxyphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982042
1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973517
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108979497) is 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(OC)c(NC(=O)C2(C(=O)NC3CCCCCC3)CC2)c1.
What is the InChIKey of 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is OWHKSPBFXFXNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-15-9-10-17(26-2)16(13-15)22-19(24)20(11-12-20)18(23)21-14-7-5-3-4-6-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).