(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide

C17H23N3O3 — CID 108820292

IUPAC(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H23N3O3/c1-4-9-19-17(21)13(11-18)12-20-14-7-8-15(22-5-2)16(10-14)23-6-3/h7-8,10,12,20H,4-6,9H2,1-3H3,(H,19,21)/b13-12-
InChIKeyIADGLZDLIZSVCD-SEYXRHQNSA-N
MW317.39 g/mol
LogP2.83
Rot. Bonds9

About (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide

(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide (PubChem CID 108820292) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide
PubChem CID108820292
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H23N3O3/c1-4-9-19-17(21)13(11-18)12-20-14-7-8-15(22-5-2)16(10-14)23-6-3/h7-8,10,12,20H,4-6,9H2,1-3H3,(H,19,21)/b13-12-
InChIKeyIADGLZDLIZSVCD-SEYXRHQNSA-N
XLogP2.83
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
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'}

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Related Compounds

ethyl (E)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enoate
CID 10733296
(Z)-N-(4-chlorophenyl)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108860789
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863388
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815458
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(3-methylphenyl)prop-2-enamide
CID 108858599
(Z)-N-benzhydryl-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108840387
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108841493
ethyl 4-[[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]amino]benzoate
CID 108820173
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108859488
(Z)-3-(3-bromoanilino)-2-cyano-N-propylprop-2-enamide
CID 108820383
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848538
(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-propylprop-2-enamide
CID 108820379

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide (CID 108820292) is (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide?
The InChIKey is IADGLZDLIZSVCD-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-9-19-17(21)13(11-18)12-20-14-7-8-15(22-5-2)16(10-14)23-6-3/h7-8,10,12,20H,4-6,9H2,1-3H3,(H,19,21)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3,4-diethoxyanilino)-N-propylprop-2-enamide is sourced from PubChem (CID 108820292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).