2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide

C18H33NO2 — CID 20724647

IUPAC2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCCC1CC(C(C)C)CCC1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H33NO2/c1-4-13-11-14(12(2)3)5-10-17(13)18(21)19-15-6-8-16(20)9-7-15/h12-17,20H,4-11H2,1-3H3,(H,19,21)
InChIKeyPDDXUKGUIRMWRO-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.50
Rot. Bonds4

About 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide

2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 20724647) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID20724647
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCCC1CC(C(C)C)CCC1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H33NO2/c1-4-13-11-14(12(2)3)5-10-17(13)18(21)19-15-6-8-16(20)9-7-15/h12-17,20H,4-11H2,1-3H3,(H,19,21)
InChIKeyPDDXUKGUIRMWRO-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide (CID 20724647) is 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide is CCC1CC(C(C)C)CCC1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is PDDXUKGUIRMWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-13-11-14(12(2)3)5-10-17(13)18(21)19-15-6-8-16(20)9-7-15/h12-17,20H,4-11H2,1-3H3,(H,19,21).
What are the key properties of 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide?
2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 20724647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).