(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide

C22H23NO4 — CID 24612275

IUPAC(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)N(C)CCOc3cccc(C)c3)oc12
InChIInChI=1S/C22H23NO4/c1-16-6-4-8-18(14-16)26-13-12-23(2)21(24)11-10-19-15-17-7-5-9-20(25-3)22(17)27-19/h4-11,14-15H,12-13H2,1-3H3/b11-10+
InChIKeyNQJJSUHDVNZFKE-ZHACJKMWSA-N
MW365.43 g/mol
LogP4.30
Rot. Bonds7

About (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide

(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide (PubChem CID 24612275) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
PubChem CID24612275
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)N(C)CCOc3cccc(C)c3)oc12
InChIInChI=1S/C22H23NO4/c1-16-6-4-8-18(14-16)26-13-12-23(2)21(24)11-10-19-15-17-7-5-9-20(25-3)22(17)27-19/h4-11,14-15H,12-13H2,1-3H3/b11-10+
InChIKeyNQJJSUHDVNZFKE-ZHACJKMWSA-N
XLogP4.30
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 26980460
2-[3-[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 60589434
(E)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 41464841
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide
CID 24605010
methyl (E)-4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]but-2-enoate
CID 166316992
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide (CID 24612275) is (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide is COc1cccc2cc(/C=C/C(=O)N(C)CCOc3cccc(C)c3)oc12.
What is the InChIKey of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide?
The InChIKey is NQJJSUHDVNZFKE-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16-6-4-8-18(14-16)26-13-12-23(2)21(24)11-10-19-15-17-7-5-9-20(25-3)22(17)27-19/h4-11,14-15H,12-13H2,1-3H3/b11-10+.
What are the key properties of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide?
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 24612275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).