1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C19H32N2O2 — CID 109144460

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C19H32N2O2/c1-14(2)21-19(23)17-10-8-16(9-11-17)18(22)20-13-12-15-6-4-3-5-7-15/h6,14,16-17H,3-5,7-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZSLUBEWJPHQXDN-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.32
Rot. Bonds6

About 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144460) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144460
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C19H32N2O2/c1-14(2)21-19(23)17-10-8-16(9-11-17)18(22)20-13-12-15-6-4-3-5-7-15/h6,14,16-17H,3-5,7-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZSLUBEWJPHQXDN-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013739
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146370
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144460) is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CC(C)NC(=O)C1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is ZSLUBEWJPHQXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(2)21-19(23)17-10-8-16(9-11-17)18(22)20-13-12-15-6-4-3-5-7-15/h6,14,16-17H,3-5,7-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).