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

C20H36F3NO2 — CID 176686317

IUPACethane;3-(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.CC
InChIInChI=1S/C18H30F3NO2.C2H6/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;1-2/h4,13-16,23H,1,5-12H2,2-3H3;1-2H3
InChIKeyCIEYRCQEOWSJDM-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.34
Rot. Bonds8

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

ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 176686317) has the molecular formula C20H36F3NO2 and a molecular weight of 379.51 g/mol. Its IUPAC name is ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Nameethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID176686317
Molecular FormulaC20H36F3NO2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Nameethane;3-(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.CC
InChIInChI=1S/C18H30F3NO2.C2H6/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;1-2/h4,13-16,23H,1,5-12H2,2-3H3;1-2H3
InChIKeyCIEYRCQEOWSJDM-UHFFFAOYSA-N
XLogP5.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
CID 176686318
2-(1-hydroxyethyl)-N,N-di(propan-2-yl)undec-10-enamide
CID 15877649

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (CID 176686317) is ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is CIEYRCQEOWSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO2.C2H6/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;1-2/h4,13-16,23H,1,5-12H2,2-3H3;1-2H3.
What are the key properties of ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 379.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-hydroxycyclohexyl)-N-(4-methylpent-1-en-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 176686317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).