N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide

C14H21F3N2O2 — CID 154796737

IUPACN-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-3-12(21)19(2)9-11(20)18-13(14(15,16)17)10-7-5-4-6-8-10/h3,10,13H,1,4-9H2,2H3,(H,18,20)
InChIKeyKDZWHMWDKWEAJZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.26
Rot. Bonds5

About N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 154796737) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID154796737
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC NameN-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-3-12(21)19(2)9-11(20)18-13(14(15,16)17)10-7-5-4-6-8-10/h3,10,13H,1,4-9H2,2H3,(H,18,20)
InChIKeyKDZWHMWDKWEAJZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide (CID 154796737) is N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NC(C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is KDZWHMWDKWEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-3-12(21)19(2)9-11(20)18-13(14(15,16)17)10-7-5-4-6-8-10/h3,10,13H,1,4-9H2,2H3,(H,18,20).
What are the key properties of N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 306.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 154796737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).