2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide

C20H26N2O3 — CID 109132849

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-16-9-7-15(8-10-16)22-20(24)18-13-17(18)19(23)21-12-11-14-5-3-2-4-6-14/h5,7-10,17-18H,2-4,6,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyKHTXSDVBCUKLHO-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.28
Rot. Bonds7

About 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109132849) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109132849
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-25-16-9-7-15(8-10-16)22-20(24)18-13-17(18)19(23)21-12-11-14-5-3-2-4-6-14/h5,7-10,17-18H,2-4,6,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyKHTXSDVBCUKLHO-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132856
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132844
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146370
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132874

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109132849) is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is KHTXSDVBCUKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-16-9-7-15(8-10-16)22-20(24)18-13-17(18)19(23)21-12-11-14-5-3-2-4-6-14/h5,7-10,17-18H,2-4,6,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).