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

C17H18N2O3 — CID 25493927

IUPAC(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1cccc(NC(=O)CNC(=O)/C=C/c2ccco2)c1C
InChIInChI=1S/C17H18N2O3/c1-12-5-3-7-15(13(12)2)19-17(21)11-18-16(20)9-8-14-6-4-10-22-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)/b9-8+
InChIKeyQQICCTOAAARXHP-CMDGGOBGSA-N
MW298.34 g/mol
LogP2.66
Rot. Bonds5

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

(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 25493927) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID25493927
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCc1cccc(NC(=O)CNC(=O)/C=C/c2ccco2)c1C
InChIInChI=1S/C17H18N2O3/c1-12-5-3-7-15(13(12)2)19-17(21)11-18-16(20)9-8-14-6-4-10-22-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)/b9-8+
InChIKeyQQICCTOAAARXHP-CMDGGOBGSA-N
XLogP2.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
(E)-N-[3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
CID 39440498
N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
CID 1292346
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 4164018
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 8504305
3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 695792
(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
CID 133126705
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide
CID 5050172

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 25493927) is (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is Cc1cccc(NC(=O)CNC(=O)/C=C/c2ccco2)c1C.
What is the InChIKey of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is QQICCTOAAARXHP-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-5-3-7-15(13(12)2)19-17(21)11-18-16(20)9-8-14-6-4-10-22-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)/b9-8+.
What are the key properties of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 25493927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).