N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C13H15F3N2O3 — CID 103597968

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C=Cc1ccco1
InChIInChI=1S/C13H15F3N2O3/c1-17(2)12(20)8-18(9-13(14,15)16)11(19)6-5-10-4-3-7-21-10/h3-7H,8-9H2,1-2H3
InChIKeyTYBPEDCXBOANBB-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 103597968) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID103597968
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C=Cc1ccco1
InChIInChI=1S/C13H15F3N2O3/c1-17(2)12(20)8-18(9-13(14,15)16)11(19)6-5-10-4-3-7-21-10/h3-7H,8-9H2,1-2H3
InChIKeyTYBPEDCXBOANBB-UHFFFAOYSA-N
XLogP1.77
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
methyl 4-[3-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 103598129
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
2-[3-(furan-2-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79256893
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-propylamino]acetate
CID 54941749
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82326317
(E)-3-(furan-2-yl)-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 71803931

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 103597968) is N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C=Cc1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is TYBPEDCXBOANBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-17(2)12(20)8-18(9-13(14,15)16)11(19)6-5-10-4-3-7-21-10/h3-7H,8-9H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 304.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 103597968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).