1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C17H24N2O3 — CID 108979794

IUPAC1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C17H24N2O3/c1-3-4-7-12-18-15(20)17(10-11-17)16(21)19-13-8-5-6-9-14(13)22-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYAMKILUKPDOBSE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds8

About 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979794) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979794
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C17H24N2O3/c1-3-4-7-12-18-15(20)17(10-11-17)16(21)19-13-8-5-6-9-14(13)22-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYAMKILUKPDOBSE-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
1-N'-(2-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976705
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979794) is 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is YAMKILUKPDOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-7-12-18-15(20)17(10-11-17)16(21)19-13-8-5-6-9-14(13)22-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).