3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide

C19H24N2O4 — CID 76856800

IUPAC3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H24N2O4/c1-21(2)16(18-6-5-11-25-18)13-20-19(22)10-7-14-12-15(23-3)8-9-17(14)24-4/h5-12,16H,13H2,1-4H3,(H,20,22)
InChIKeyKZYRMZUQBHWBOX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.73
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide

3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 76856800) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID76856800
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H24N2O4/c1-21(2)16(18-6-5-11-25-18)13-20-19(22)10-7-14-12-15(23-3)8-9-17(14)24-4/h5-12,16H,13H2,1-4H3,(H,20,22)
InChIKeyKZYRMZUQBHWBOX-UHFFFAOYSA-N
XLogP2.73
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 37226287
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
(E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7995200
(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylbut-2-enamide
CID 110302117

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide (CID 76856800) is 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide is COc1ccc(OC)c(C=CC(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is KZYRMZUQBHWBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-21(2)16(18-6-5-11-25-18)13-20-19(22)10-7-14-12-15(23-3)8-9-17(14)24-4/h5-12,16H,13H2,1-4H3,(H,20,22).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide?
3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 344.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 76856800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).