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

propyl 1-(4-cyclohexyl-1-hexylcyclohexyl)cyclohexane-1-carboxylate
CID 70446594
pentyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate
CID 70446547
decyl 1-(4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylate
CID 70447481
hexyl 1-(4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 70446860
propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 70447326
1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607602
2-[1-(carboxymethyl)-4-cyclohexylcyclohexyl]acetic acid
CID 71401425
4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
CID 175597724
2-amino-N-[(1-propylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103813071
1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
CID 90741869
1-butylcyclohexane-1-carboxamide
CID 57018178
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
CID 174429341

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).