N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide

C20H34FNO — CID 134244993

IUPACN-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCCCCF)CC2)CC1
InChIInChI=1S/C20H34FNO/c1-2-20(23)22-19-13-11-18(12-14-19)17-9-7-16(8-10-17)6-4-3-5-15-21/h2,16-19H,1,3-15H2,(H,22,23)
InChIKeyNAPHPNNMFHTSKW-UHFFFAOYSA-N
MW323.50 g/mol
LogP5.18
Rot. Bonds8

About N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide

N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide (PubChem CID 134244993) has the molecular formula C20H34FNO and a molecular weight of 323.50 g/mol. Its IUPAC name is N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
PubChem CID134244993
Molecular FormulaC20H34FNO
Molecular Weight323.50 g/mol
Exact Mass323.26
IUPAC NameN-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCCCCF)CC2)CC1
InChIInChI=1S/C20H34FNO/c1-2-20(23)22-19-13-11-18(12-14-19)17-9-7-16(8-10-17)6-4-3-5-15-21/h2,16-19H,1,3-15H2,(H,22,23)
InChIKeyNAPHPNNMFHTSKW-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
CID 134246443
1-(8-fluorooctyl)-4-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 54035410
N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245605
N-(4-prop-2-enylcyclohexyl)prop-2-enamide
CID 144952978
N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
CID 135214922
N-[3-(aminomethyl)cyclopentyl]prop-2-enamide
CID 131166131
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
CID 130426855
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
CID 70489412
N-(4-aminocyclohexyl)prop-2-enamide;sulfane
CID 158384464

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide (CID 134244993) is N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C2CCC(CCCCCF)CC2)CC1.
What is the InChIKey of N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide?
The InChIKey is NAPHPNNMFHTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FNO/c1-2-20(23)22-19-13-11-18(12-14-19)17-9-7-16(8-10-17)6-4-3-5-15-21/h2,16-19H,1,3-15H2,(H,22,23).
What are the key properties of N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide?
N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide has a molecular weight of 323.50 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134244993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).