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

C19H20N2O3 — CID 19175664

IUPAC(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-3-10-23-17-8-6-15(7-9-17)12-16(13-20)19(22)21-14-18-5-4-11-24-18/h4-9,11-12H,2-3,10,14H2,1H3,(H,21,22)/b16-12-
InChIKeyJBWQAXTYRMNABX-VBKFSLOCSA-N
MW324.38 g/mol
LogP3.68
Rot. Bonds8

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

(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 19175664) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID19175664
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-3-10-23-17-8-6-15(7-9-17)12-16(13-20)19(22)21-14-18-5-4-11-24-18/h4-9,11-12H,2-3,10,14H2,1H3,(H,21,22)/b16-12-
InChIKeyJBWQAXTYRMNABX-VBKFSLOCSA-N
XLogP3.68
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(furan-2-ylmethyl)-3-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]prop-2-enamide
CID 4617800
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] (E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoate
CID 19196269
2-cyano-N-(furan-2-ylmethyl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4809578
2-cyano-N-(furan-2-ylmethyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 4815927
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
CID 19195004
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
CID 19195054
(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
(E)-3-[3-chloro-4-[3-(3-methylphenoxy)propoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6520922
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] (E)-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 19197437
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enamide
CID 2139820
4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2908003

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (CID 19175664) is (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is CCCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1.
What is the InChIKey of (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is JBWQAXTYRMNABX-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-10-23-17-8-6-15(7-9-17)12-16(13-20)19(22)21-14-18-5-4-11-24-18/h4-9,11-12H,2-3,10,14H2,1H3,(H,21,22)/b16-12-.
What are the key properties of (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 19175664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).