(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide

C17H23N3O4 — CID 108834093

IUPAC(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C\Nc1ccc(OC)cc1OC
InChIInChI=1S/C17H23N3O4/c1-4-24-9-5-8-19-17(21)13(11-18)12-20-15-7-6-14(22-2)10-16(15)23-3/h6-7,10,12,20H,4-5,8-9H2,1-3H3,(H,19,21)/b13-12-
InChIKeyMEFPQDIAUFWJBH-SEYXRHQNSA-N
MW333.39 g/mol
LogP2.07
Rot. Bonds10

About (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide

(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide (PubChem CID 108834093) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide
PubChem CID108834093
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C\Nc1ccc(OC)cc1OC
InChIInChI=1S/C17H23N3O4/c1-4-24-9-5-8-19-17(21)13(11-18)12-20-15-7-6-14(22-2)10-16(15)23-3/h6-7,10,12,20H,4-5,8-9H2,1-3H3,(H,19,21)/b13-12-
InChIKeyMEFPQDIAUFWJBH-SEYXRHQNSA-N
XLogP2.07
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(Z)-N-(3-butoxypropyl)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enamide
CID 108837064
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
CID 108834031
3-[[(Z)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enoyl]amino]propanoic acid
CID 108817716
(Z)-N-(3-butoxypropyl)-2-cyano-3-(2-methoxyanilino)prop-2-enamide
CID 108836902
(Z)-2-cyano-N-(3-ethoxypropyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108833979
(Z)-3-(2-bromo-4-methylanilino)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 108834219
(Z)-3-(2-amino-4-methylanilino)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 108834231
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863060
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(3-ethoxypropyl)prop-2-enamide
CID 108833942
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2713691
2-cyano-N-(3-ethoxypropyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 3960178
(Z)-N-(3-butoxypropyl)-2-cyano-3-(2-hydroxy-4-methylanilino)prop-2-enamide
CID 108837171

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide (CID 108834093) is (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide is CCOCCCNC(=O)/C(C#N)=C\Nc1ccc(OC)cc1OC.
What is the InChIKey of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide?
The InChIKey is MEFPQDIAUFWJBH-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-24-9-5-8-19-17(21)13(11-18)12-20-15-7-6-14(22-2)10-16(15)23-3/h6-7,10,12,20H,4-5,8-9H2,1-3H3,(H,19,21)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide?
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide is sourced from PubChem (CID 108834093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).