N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide

C18H29NO — CID 71897961

IUPACN-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide
SMILESCCC1CCC(N(C(=O)C2CC=CCC2)C2CC2)CC1
InChIInChI=1S/C18H29NO/c1-2-14-8-10-16(11-9-14)19(17-12-13-17)18(20)15-6-4-3-5-7-15/h3-4,14-17H,2,5-13H2,1H3
InChIKeyLOSJVLSZGQTIRC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.30
Rot. Bonds4

About N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide

N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71897961) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide
PubChem CID71897961
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide
SMILESCCC1CCC(N(C(=O)C2CC=CCC2)C2CC2)CC1
InChIInChI=1S/C18H29NO/c1-2-14-8-10-16(11-9-14)19(17-12-13-17)18(20)15-6-4-3-5-7-15/h3-4,14-17H,2,5-13H2,1H3
InChIKeyLOSJVLSZGQTIRC-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide (CID 71897961) is N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide is CCC1CCC(N(C(=O)C2CC=CCC2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is LOSJVLSZGQTIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-14-8-10-16(11-9-14)19(17-12-13-17)18(20)15-6-4-3-5-7-15/h3-4,14-17H,2,5-13H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide?
N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 275.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-ethylcyclohexyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71897961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).