(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide

C18H21ClN2O2 — CID 110302146

IUPAC(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C18H21ClN2O2/c1-13(11-14-6-8-15(19)9-7-14)18(22)20-12-16(21(2)3)17-5-4-10-23-17/h4-11,16H,12H2,1-3H3,(H,20,22)/b13-11+
InChIKeyPDNTUQIYZNUSCY-ACCUITESSA-N
MW332.83 g/mol
LogP3.76
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 110302146) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
PubChem CID110302146
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C18H21ClN2O2/c1-13(11-14-6-8-15(19)9-7-14)18(22)20-12-16(21(2)3)17-5-4-10-23-17/h4-11,16H,12H2,1-3H3,(H,20,22)/b13-11+
InChIKeyPDNTUQIYZNUSCY-ACCUITESSA-N
XLogP3.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.76
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]-N-prop-2-enyloxamide
CID 16875563
4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
CID 51145123
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
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
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
CID 110302117
2-(5-chloro-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110621183
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide (CID 110302146) is (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide is C/C(=C\c1ccc(Cl)cc1)C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is PDNTUQIYZNUSCY-ACCUITESSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(11-14-6-8-15(19)9-7-14)18(22)20-12-16(21(2)3)17-5-4-10-23-17/h4-11,16H,12H2,1-3H3,(H,20,22)/b13-11+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 332.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 110302146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).