(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide

C19H21N3O4 — CID 108863388

IUPAC(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(N/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C19H21N3O4/c1-3-24-17-8-7-15(10-18(17)25-4-2)21-12-14(11-20)19(23)22-13-16-6-5-9-26-16/h5-10,12,21H,3-4,13H2,1-2H3,(H,22,23)/b14-12-
InChIKeyVKOPWUCICBOIKX-OWBHPGMISA-N
MW355.39 g/mol
LogP3.21
Rot. Bonds9

About (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide

(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863388) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863388
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(N/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C19H21N3O4/c1-3-24-17-8-7-15(10-18(17)25-4-2)21-12-14(11-20)19(23)22-13-16-6-5-9-26-16/h5-10,12,21H,3-4,13H2,1-2H3,(H,22,23)/b14-12-
InChIKeyVKOPWUCICBOIKX-OWBHPGMISA-N
XLogP3.21
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide
CID 108820292
(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
(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863478
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108841493
(E)-3-[4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6520736
3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 4992063
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3-methylbutanoate
CID 19204211
3-(5-chloro-2-methoxyanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 3841376
(E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-iodophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 1116709
ethyl (E)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enoate
CID 10733296

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863388) is (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide is CCOc1ccc(N/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC.
What is the InChIKey of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is VKOPWUCICBOIKX-OWBHPGMISA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-24-17-8-7-15(10-18(17)25-4-2)21-12-14(11-20)19(23)22-13-16-6-5-9-26-16/h5-10,12,21H,3-4,13H2,1-2H3,(H,22,23)/b14-12-.
What are the key properties of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 355.39 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).