N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide

C18H30FNO — CID 134244987

IUPACN-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCCF)CC2)CC1
InChIInChI=1S/C18H30FNO/c1-2-18(21)20-17-11-9-16(10-12-17)15-7-5-14(6-8-15)4-3-13-19/h2,14-17H,1,3-13H2,(H,20,21)
InChIKeyFKZKPGSPSUTAEU-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide

N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide (PubChem CID 134244987) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide
PubChem CID134244987
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCCF)CC2)CC1
InChIInChI=1S/C18H30FNO/c1-2-18(21)20-17-11-9-16(10-12-17)15-7-5-14(6-8-15)4-3-13-19/h2,14-17H,1,3-13H2,(H,20,21)
InChIKeyFKZKPGSPSUTAEU-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide (CID 134244987) is N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C2CCC(CCCF)CC2)CC1.
What is the InChIKey of N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide?
The InChIKey is FKZKPGSPSUTAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-2-18(21)20-17-11-9-16(10-12-17)15-7-5-14(6-8-15)4-3-13-19/h2,14-17H,1,3-13H2,(H,20,21).
What are the key properties of N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide?
N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide has a molecular weight of 295.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134244987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).