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

C20H28N2O3 — CID 72687885

IUPACN-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCc1oc2ccccc2c1C=CC(=O)N(CCOC)CCN(C)C
InChIInChI=1S/C20H28N2O3/c1-5-18-17(16-8-6-7-9-19(16)25-18)10-11-20(23)22(14-15-24-4)13-12-21(2)3/h6-11H,5,12-15H2,1-4H3
InChIKeyZKNAFSBFVUOWQG-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.05
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 72687885) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID72687885
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCCc1oc2ccccc2c1C=CC(=O)N(CCOC)CCN(C)C
InChIInChI=1S/C20H28N2O3/c1-5-18-17(16-8-6-7-9-19(16)25-18)10-11-20(23)22(14-15-24-4)13-12-21(2)3/h6-11H,5,12-15H2,1-4H3
InChIKeyZKNAFSBFVUOWQG-UHFFFAOYSA-N
XLogP3.05
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
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,N-bis(2-cyanoethyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 51250724
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
4-[[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8967994
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
(E)-N-(1,1-dioxothiolan-3-yl)-3-(2-ethyl-1-benzofuran-3-yl)-N-methylprop-2-enamide
CID 51238417
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
3-[3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl-(oxan-4-yl)amino]propanoic acid
CID 126795276
methyl (2S)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085116
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
CID 110002731
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide (CID 72687885) is N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide is CCc1oc2ccccc2c1C=CC(=O)N(CCOC)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is ZKNAFSBFVUOWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-18-17(16-8-6-7-9-19(16)25-18)10-11-20(23)22(14-15-24-4)13-12-21(2)3/h6-11H,5,12-15H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide?
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 72687885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).