N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide

C19H20N2O3 — CID 171136921

IUPACN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide
SMILESCN(C)C(CNC(=O)C=Cc1ccoc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O3/c1-21(2)16(18-11-15-5-3-4-6-17(15)24-18)12-20-19(22)8-7-14-9-10-23-13-14/h3-11,13,16H,12H2,1-2H3,(H,20,22)
InChIKeyDDZIPVOOEDZHEB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide

N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide (PubChem CID 171136921) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide
PubChem CID171136921
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide
SMILESCN(C)C(CNC(=O)C=Cc1ccoc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O3/c1-21(2)16(18-11-15-5-3-4-6-17(15)24-18)12-20-19(22)8-7-14-9-10-23-13-14/h3-11,13,16H,12H2,1-2H3,(H,20,22)
InChIKeyDDZIPVOOEDZHEB-UHFFFAOYSA-N
XLogP3.46
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
CID 99873619
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121023303
3-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]prop-2-enamide
CID 7041597
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 72717738
(E)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 91630864
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
CID 2246384
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 71807047
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(dimethylamino)-2-phenylethyl]prop-2-enamide
CID 55363153

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide (CID 171136921) is N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide is CN(C)C(CNC(=O)C=Cc1ccoc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide?
The InChIKey is DDZIPVOOEDZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(2)16(18-11-15-5-3-4-6-17(15)24-18)12-20-19(22)8-7-14-9-10-23-13-14/h3-11,13,16H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide?
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide is sourced from PubChem (CID 171136921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).