(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide

C22H21NO4 — CID 28677857

IUPAC(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1
InChIInChI=1S/C22H21NO4/c1-15-3-7-17(21-11-10-19(14-24)27-21)13-20(15)23-22(25)12-6-16-4-8-18(26-2)9-5-16/h3-13,24H,14H2,1-2H3,(H,23,25)/b12-6+
InChIKeyYYLIIEXDGHLKEE-WUXMJOGZSA-N
MW363.41 g/mol
LogP4.41
Rot. Bonds6

About (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 28677857) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID28677857
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1
InChIInChI=1S/C22H21NO4/c1-15-3-7-17(21-11-10-19(14-24)27-21)13-20(15)23-22(25)12-6-16-4-8-18(26-2)9-5-16/h3-13,24H,14H2,1-2H3,(H,23,25)/b12-6+
InChIKeyYYLIIEXDGHLKEE-WUXMJOGZSA-N
XLogP4.41
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
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-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28677797
(E)-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 22775314
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-3-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024683
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
2-(3,4-dimethylphenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28675745
(E)-3-(4-chlorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677694
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 28677857) is (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1.
What is the InChIKey of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is YYLIIEXDGHLKEE-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15-3-7-17(21-11-10-19(14-24)27-21)13-20(15)23-22(25)12-6-16-4-8-18(26-2)9-5-16/h3-13,24H,14H2,1-2H3,(H,23,25)/b12-6+.
What are the key properties of (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 363.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28677857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).