N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide

C14H22F2N2O2 — CID 154795092

IUPACN-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2O2/c1-4-12(19)18(5-2)10-13(20)17(3)11-6-8-14(15,16)9-7-11/h4,11H,1,5-10H2,2-3H3
InChIKeyIAMRGNNRMDYNED-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide

N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 154795092) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
PubChem CID154795092
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC NameN-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2O2/c1-4-12(19)18(5-2)10-13(20)17(3)11-6-8-14(15,16)9-7-11/h4,11H,1,5-10H2,2-3H3
InChIKeyIAMRGNNRMDYNED-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide (CID 154795092) is N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(=O)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
The InChIKey is IAMRGNNRMDYNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-4-12(19)18(5-2)10-13(20)17(3)11-6-8-14(15,16)9-7-11/h4,11H,1,5-10H2,2-3H3.
What are the key properties of N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide?
N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 288.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,4-difluorocyclohexyl)-methylamino]-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 154795092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).