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

C22H21NO5 — CID 28677867

IUPAC(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1
InChIInChI=1S/C22H21NO5/c1-26-17-7-3-15(4-8-17)5-12-22(25)23-16-6-10-20(27-2)19(13-16)21-11-9-18(14-24)28-21/h3-13,24H,14H2,1-2H3,(H,23,25)/b12-5+
InChIKeyPCEPGGLCCWEMPU-LFYBBSHMSA-N
MW379.41 g/mol
LogP4.11
Rot. Bonds7

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

(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 28677867) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID28677867
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1
InChIInChI=1S/C22H21NO5/c1-26-17-7-3-15(4-8-17)5-12-22(25)23-16-6-10-20(27-2)19(13-16)21-11-9-18(14-24)28-21/h3-13,24H,14H2,1-2H3,(H,23,25)/b12-5+
InChIKeyPCEPGGLCCWEMPU-LFYBBSHMSA-N
XLogP4.11
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
(E)-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 28688714
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28686589
(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677857
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
(E)-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 22775314
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
CID 28677651
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
CID 28677251
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 28677867) is (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1.
What is the InChIKey of (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is PCEPGGLCCWEMPU-LFYBBSHMSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-17-7-3-15(4-8-17)5-12-22(25)23-16-6-10-20(27-2)19(13-16)21-11-9-18(14-24)28-21/h3-13,24H,14H2,1-2H3,(H,23,25)/b12-5+.
What are the key properties of (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 379.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28677867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).