(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide

C18H20N2O3 — CID 2672624

IUPAC(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C18H20N2O3/c1-13-6-7-14(2)16(11-13)19-17(21)12-20(3)18(22)9-8-15-5-4-10-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b9-8+
InChIKeyGVTCJSUGWHSPFS-CMDGGOBGSA-N
MW312.37 g/mol
LogP3.01
Rot. Bonds5

About (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide

(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide (PubChem CID 2672624) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide
PubChem CID2672624
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C18H20N2O3/c1-13-6-7-14(2)16(11-13)19-17(21)12-20(3)18(22)9-8-15-5-4-10-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b9-8+
InChIKeyGVTCJSUGWHSPFS-CMDGGOBGSA-N
XLogP3.01
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
N-[2-Furan-2-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5765235
N-[2-Furan-2-yl-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 5765237
N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-benzamide
CID 5344059
6-[Ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648058
(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 779814
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
Butyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 1903239
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 2579466
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2865500
N-(3-{[methyl(phenyl)amino]carbonyl}phenyl)-2-furamide
CID 2985334

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide (CID 2672624) is (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccco2)c1.
What is the InChIKey of (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The InChIKey is GVTCJSUGWHSPFS-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-6-7-14(2)16(11-13)19-17(21)12-20(3)18(22)9-8-15-5-4-10-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b9-8+.
What are the key properties of (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 2672624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).