3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide

C18H30F3NO2 — CID 176686318

IUPAC3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESC=CC(C(C)C)N(CCC(F)(F)F)C(=O)CCC1CCC(O)CC1
InChIInChI=1S/C18H30F3NO2/c1-4-16(13(2)3)22(12-11-18(19,20)21)17(24)10-7-14-5-8-15(23)9-6-14/h4,13-16,23H,1,5-12H2,2-3H3
InChIKeyMRECIZLCDIYOFP-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.31
Rot. Bonds8

About 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide

3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 176686318) has the molecular formula C18H30F3NO2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID176686318
Molecular FormulaC18H30F3NO2
Molecular Weight349.44 g/mol
Exact Mass349.22
IUPAC Name3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESC=CC(C(C)C)N(CCC(F)(F)F)C(=O)CCC1CCC(O)CC1
InChIInChI=1S/C18H30F3NO2/c1-4-16(13(2)3)22(12-11-18(19,20)21)17(24)10-7-14-5-8-15(23)9-6-14/h4,13-16,23H,1,5-12H2,2-3H3
InChIKeyMRECIZLCDIYOFP-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (CID 176686318) is 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is C=CC(C(C)C)N(CCC(F)(F)F)C(=O)CCC1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is MRECIZLCDIYOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO2/c1-4-16(13(2)3)22(12-11-18(19,20)21)17(24)10-7-14-5-8-15(23)9-6-14/h4,13-16,23H,1,5-12H2,2-3H3.
What are the key properties of 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 176686318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).