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

C21H19NO4 — CID 28677657

IUPAC(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C21H19NO4/c1-25-20-13-16(8-10-18(20)19-11-9-17(14-23)26-19)22-21(24)12-7-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,22,24)/b12-7+
InChIKeyKPIVNKIPCHUKOF-KPKJPENVSA-N
MW349.39 g/mol
LogP4.10
Rot. Bonds6

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

(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide (PubChem CID 28677657) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
PubChem CID28677657
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C21H19NO4/c1-25-20-13-16(8-10-18(20)19-11-9-17(14-23)26-19)22-21(24)12-7-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,22,24)/b12-7+
InChIKeyKPIVNKIPCHUKOF-KPKJPENVSA-N
XLogP4.10
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.10
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-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
CID 28677651
(E)-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 28688714
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]prop-2-enamide
CID 28678367
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 28666099
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
2-fluoro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667056
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
CID 168653185
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28686589
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide (CID 28677657) is (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide is COc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1.
What is the InChIKey of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide?
The InChIKey is KPIVNKIPCHUKOF-KPKJPENVSA-N. The full InChI is InChI=1S/C21H19NO4/c1-25-20-13-16(8-10-18(20)19-11-9-17(14-23)26-19)22-21(24)12-7-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,22,24)/b12-7+.
What are the key properties of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 28677657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).