2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide

C17H14N2O4 — CID 76724210

IUPAC2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide
SMILESN#CC(=CC=Cc1cc(O)cc(O)c1)C(=O)NCc1ccco1
InChIInChI=1S/C17H14N2O4/c18-10-13(17(22)19-11-16-5-2-6-23-16)4-1-3-12-7-14(20)9-15(21)8-12/h1-9,20-21H,11H2,(H,19,22)
InChIKeyVMZNAIKVVATUAP-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.47
Rot. Bonds5

About 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide

2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide (PubChem CID 76724210) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide
PubChem CID76724210
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide
SMILESN#CC(=CC=Cc1cc(O)cc(O)c1)C(=O)NCc1ccco1
InChIInChI=1S/C17H14N2O4/c18-10-13(17(22)19-11-16-5-2-6-23-16)4-1-3-12-7-14(20)9-15(21)8-12/h1-9,20-21H,11H2,(H,19,22)
InChIKeyVMZNAIKVVATUAP-UHFFFAOYSA-N
XLogP2.47
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 2688555
2-cyano-N-(furan-2-ylmethyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 4815927
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3976690
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863478
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
(E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-iodophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 1116709
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
CID 108863363
(Z)-2-cyano-3-(3,4-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863270
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide?
The IUPAC name of 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide (CID 76724210) is 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide.
What is the SMILES notation for 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide?
The canonical SMILES for 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide is N#CC(=CC=Cc1cc(O)cc(O)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide?
The InChIKey is VMZNAIKVVATUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c18-10-13(17(22)19-11-16-5-2-6-23-16)4-1-3-12-7-14(20)9-15(21)8-12/h1-9,20-21H,11H2,(H,19,22).
What are the key properties of 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide?
2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide has a molecular weight of 310.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(3,5-dihydroxyphenyl)-N-(furan-2-ylmethyl)penta-2,4-dienamide is sourced from PubChem (CID 76724210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).