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

C17H18N2O3 — CID 8699004

IUPAC(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C17H18N2O3/c1-2-13-6-3-4-8-15(13)19-17(21)12-18-16(20)10-9-14-7-5-11-22-14/h3-11H,2,12H2,1H3,(H,18,20)(H,19,21)/b10-9+
InChIKeyCYYYYJDHGHCJGO-MDZDMXLPSA-N
MW298.34 g/mol
LogP2.61
Rot. Bonds6

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

(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 8699004) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID8699004
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C17H18N2O3/c1-2-13-6-3-4-8-15(13)19-17(21)12-18-16(20)10-9-14-7-5-11-22-14/h3-11H,2,12H2,1H3,(H,18,20)(H,19,21)/b10-9+
InChIKeyCYYYYJDHGHCJGO-MDZDMXLPSA-N
XLogP2.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.61
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

N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 25493927
(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
CID 40730718
(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-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 3751982
(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
CID 133126705
3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
CID 72688726
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 5206140
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 8699004) is (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is CCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is CYYYYJDHGHCJGO-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-13-6-3-4-8-15(13)19-17(21)12-18-16(20)10-9-14-7-5-11-22-14/h3-11H,2,12H2,1H3,(H,18,20)(H,19,21)/b10-9+.
What are the key properties of (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 8699004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).