(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide

C18H18N2O2 — CID 90552022

IUPAC(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(C)c1ccccc1C#CCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C18H18N2O2/c1-20(2)17-10-4-3-7-15(17)8-5-13-19-18(21)12-11-16-9-6-14-22-16/h3-4,6-7,9-12,14H,13H2,1-2H3,(H,19,21)/b12-11+
InChIKeyNCEOIYLCSNVYRE-VAWYXSNFSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds4

About (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 90552022) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID90552022
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(C)c1ccccc1C#CCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C18H18N2O2/c1-20(2)17-10-4-3-7-15(17)8-5-13-19-18(21)12-11-16-9-6-14-22-16/h3-4,6-7,9-12,14H,13H2,1-2H3,(H,19,21)/b12-11+
InChIKeyNCEOIYLCSNVYRE-VAWYXSNFSA-N
XLogP2.53
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90549391
(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90552155
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide (CID 90552022) is (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide is CN(C)c1ccccc1C#CCNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is NCEOIYLCSNVYRE-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(2)17-10-4-3-7-15(17)8-5-13-19-18(21)12-11-16-9-6-14-22-16/h3-4,6-7,9-12,14H,13H2,1-2H3,(H,19,21)/b12-11+.
What are the key properties of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 90552022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).