(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide

C18H22N2O2 — CID 110302117

IUPAC(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCC(c1ccco1)N(C)C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(15-8-5-4-6-9-15)12-18(21)19-13-16(20(2)3)17-10-7-11-22-17/h4-12,16H,13H2,1-3H3,(H,19,21)/b14-12+
InChIKeyLDJMRTPEGCAKLU-WYMLVPIESA-N
MW298.39 g/mol
LogP3.10
Rot. Bonds6

About (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide

(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide (PubChem CID 110302117) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
PubChem CID110302117
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCC(c1ccco1)N(C)C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(15-8-5-4-6-9-15)12-18(21)19-13-16(20(2)3)17-10-7-11-22-17/h4-12,16H,13H2,1-3H3,(H,19,21)/b14-12+
InChIKeyLDJMRTPEGCAKLU-WYMLVPIESA-N
XLogP3.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.10
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

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 16875604
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 16875563
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide (CID 110302117) is (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide is C/C(=C\C(=O)NCC(c1ccco1)N(C)C)c1ccccc1.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide?
The InChIKey is LDJMRTPEGCAKLU-WYMLVPIESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(15-8-5-4-6-9-15)12-18(21)19-13-16(20(2)3)17-10-7-11-22-17/h4-12,16H,13H2,1-3H3,(H,19,21)/b14-12+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide?
(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide has a molecular weight of 298.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 110302117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).