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

C17H24N2O3 — CID 109140052

IUPAC1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H24N2O3/c1-3-4-7-10-18-16(20)12-11-13(12)17(21)19-14-8-5-6-9-15(14)22-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRHQHHLKHAZFEDA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.58
Rot. Bonds8

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

1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide (PubChem CID 109140052) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
PubChem CID109140052
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H24N2O3/c1-3-4-7-10-18-16(20)12-11-13(12)17(21)19-14-8-5-6-9-15(14)22-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRHQHHLKHAZFEDA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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

1-N-(2-methoxyphenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131530
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341
1-N-(2,4-dimethoxyphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130555
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide (CID 109140052) is 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide is CCCCCNC(=O)C1CC1C(=O)Nc1ccccc1OC.
What is the InChIKey of 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The InChIKey is RHQHHLKHAZFEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-7-10-18-16(20)12-11-13(12)17(21)19-14-8-5-6-9-15(14)22-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.58, 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)-2-N-pentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).