1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide

C22H39NO — CID 18607603

IUPAC1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCCC1(C2(C(N)=O)CCCCC2)CCC(C2CCCCC2)CC1
InChIInChI=1S/C22H39NO/c1-2-13-21(22(20(23)24)14-7-4-8-15-22)16-11-19(12-17-21)18-9-5-3-6-10-18/h18-19H,2-17H2,1H3,(H2,23,24)
InChIKeyUYGRALMECAJOSO-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.98
Rot. Bonds5

About 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide

1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 18607603) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID18607603
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCCC1(C2(C(N)=O)CCCCC2)CCC(C2CCCCC2)CC1
InChIInChI=1S/C22H39NO/c1-2-13-21(22(20(23)24)14-7-4-8-15-22)16-11-19(12-17-21)18-9-5-3-6-10-18/h18-19H,2-17H2,1H3,(H2,23,24)
InChIKeyUYGRALMECAJOSO-UHFFFAOYSA-N
XLogP5.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21686
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CID 50398
1,6-Methanonaphthalene-1(2H)-carboxamide, octahydro-
CID 516772
3,5-Dimethyladamantane-1-carboxamide
CID 2834546
4'-Pentylbicyclohexyl-4-carboxamide
CID 534426
4-Fluorobicyclo[2.2.2]octane-1-carboxamide
CID 12765159
Dimenthylacetamide
CID 20077249
1-Ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 24856441
(Di(2-ethylhexyl)3,3-di(methyl)butyramide)
CID 87326076
1-(Cyclohexylmethyl)cyclohexane-1-carboxamide
CID 135031421
2-(1-Bicyclo[2.2.2]octanyl)-3-fluoro-2-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 169793011

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide (CID 18607603) is 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide is CCCC1(C2(C(N)=O)CCCCC2)CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is UYGRALMECAJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-13-21(22(20(23)24)14-7-4-8-15-22)16-11-19(12-17-21)18-9-5-3-6-10-18/h18-19H,2-17H2,1H3,(H2,23,24).
What are the key properties of 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide?
1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 333.56 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 18607603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).