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

C24H34N2O3 — CID 109146370

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1
InChIInChI=1S/C24H34N2O3/c1-29-22-13-7-19(8-14-22)17-26-24(28)21-11-9-20(10-12-21)23(27)25-16-15-18-5-3-2-4-6-18/h5,7-8,13-14,20-21H,2-4,6,9-12,15-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyYBFROPHECXWBBI-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.12
Rot. Bonds8

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

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109146370) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109146370
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1
InChIInChI=1S/C24H34N2O3/c1-29-22-13-7-19(8-14-22)17-26-24(28)21-11-9-20(10-12-21)23(27)25-16-15-18-5-3-2-4-6-18/h5,7-8,13-14,20-21H,2-4,6,9-12,15-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyYBFROPHECXWBBI-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.12
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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
1-[2-(cyclohexen-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182315
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549662
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090579
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109146370) is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is COc1ccc(CNC(=O)C2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is YBFROPHECXWBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-29-22-13-7-19(8-14-22)17-26-24(28)21-11-9-20(10-12-21)23(27)25-16-15-18-5-3-2-4-6-18/h5,7-8,13-14,20-21H,2-4,6,9-12,15-17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).