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

C19H17NO4 — CID 28677993

IUPAC(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C19H17NO4/c1-13-11-14(20-19(22)9-6-15-3-2-10-23-15)4-7-17(13)18-8-5-16(12-21)24-18/h2-11,21H,12H2,1H3,(H,20,22)/b9-6+
InChIKeyOVVPQHVJNXBZOZ-RMKNXTFCSA-N
MW323.35 g/mol
LogP3.99
Rot. Bonds5

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

(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide (PubChem CID 28677993) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
PubChem CID28677993
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C19H17NO4/c1-13-11-14(20-19(22)9-6-15-3-2-10-23-15)4-7-17(13)18-8-5-16(12-21)24-18/h2-11,21H,12H2,1H3,(H,20,22)/b9-6+
InChIKeyOVVPQHVJNXBZOZ-RMKNXTFCSA-N
XLogP3.99
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.99
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
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 25239380
(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)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
N-[(3,4-dimethylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 884086
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 71961453
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-(furan-2-yl)prop-2-enamide
CID 171130572
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide (CID 28677993) is (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1ccc(CO)o1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide?
The InChIKey is OVVPQHVJNXBZOZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-11-14(20-19(22)9-6-15-3-2-10-23-15)4-7-17(13)18-8-5-16(12-21)24-18/h2-11,21H,12H2,1H3,(H,20,22)/b9-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide has a molecular weight of 323.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide is sourced from PubChem (CID 28677993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).