4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

C17H28N2O2 — CID 109144848

IUPAC4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-2-12-18-16(20)13-8-10-14(11-9-13)17(21)19-15-6-4-3-5-7-15/h2,13-15H,1,3-12H2,(H,18,20)(H,19,21)
InChIKeyINBJUGHXJZXHGL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.54
Rot. Bonds5

About 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide

4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (PubChem CID 109144848) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
PubChem CID109144848
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-2-12-18-16(20)13-8-10-14(11-9-13)17(21)19-15-6-4-3-5-7-15/h2,13-15H,1,3-12H2,(H,18,20)(H,19,21)
InChIKeyINBJUGHXJZXHGL-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.54
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,N'-diallyl-1,4-cyclohexanedicarboxamide
CID 2234553
2-cyclohexyl-N-prop-2-enylacetamide
CID 4254190
Cyclohexanecarboxamide, N-allyl-
CID 5019203
trans-N-allyl-2-aminocyclohexanecarboxamide
CID 129855648
N,N'-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide
CID 21470524
4-(Prop-2-enoylamino)cyclohexane-1-carboxamide
CID 43696419
4-amino-N-prop-2-enylcyclohexane-1-carboxamide
CID 60848642
1-N-cyclohexyl-4-N-cyclopentylcyclohexane-1,4-dicarboxamide
CID 109145761
4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide
CID 142493333
N-[5-(cyclohexylamino)-5-oxopentyl]cyclohexanecarboxamide
CID 145812479
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide
CID 156564341

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide (CID 109144848) is 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is C=CCNC(=O)C1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
The InChIKey is INBJUGHXJZXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-12-18-16(20)13-8-10-14(11-9-13)17(21)19-15-6-4-3-5-7-15/h2,13-15H,1,3-12H2,(H,18,20)(H,19,21).
What are the key properties of 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide?
4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).