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

C21H19NO3 — CID 28677651

IUPAC(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C21H19NO3/c1-15-13-17(8-10-19(15)20-11-9-18(14-23)25-20)22-21(24)12-7-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H,22,24)/b12-7+
InChIKeyRXASYJJDVCNZCD-KPKJPENVSA-N
MW333.39 g/mol
LogP4.40
Rot. Bonds5

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

(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide (PubChem CID 28677651) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
PubChem CID28677651
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C21H19NO3/c1-15-13-17(8-10-19(15)20-11-9-18(14-23)25-20)22-21(24)12-7-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H,22,24)/b12-7+
InChIKeyRXASYJJDVCNZCD-KPKJPENVSA-N
XLogP4.40
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
CID 28677993
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 25239380
(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-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 28686259
(E)-3-(4-chlorophenyl)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677676
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(E)-3-(4-chlorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677694

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide (CID 28677651) is (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1ccc(CO)o1.
What is the InChIKey of (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide?
The InChIKey is RXASYJJDVCNZCD-KPKJPENVSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15-13-17(8-10-19(15)20-11-9-18(14-23)25-20)22-21(24)12-7-16-5-3-2-4-6-16/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-methylphenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 28677651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).