(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide

C19H20N2O4 — CID 143906121

IUPAC(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide
SMILESC/C=C(C(=O)Nc1ccccc1)\C(C=O)=C/C(=C/C=O)C(=O)N(C)C
InChIInChI=1S/C19H20N2O4/c1-4-17(18(24)20-16-8-6-5-7-9-16)15(13-23)12-14(10-11-22)19(25)21(2)3/h4-13H,1-3H3,(H,20,24)/b14-10-,15-12-,17-4+
InChIKeyHYSADIBKGBYWMI-NURAFPBYSA-N
MW340.38 g/mol
LogP1.91
Rot. Bonds7

About (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide

(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide (PubChem CID 143906121) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide.

Molecular Properties

Compound Name(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide
PubChem CID143906121
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide
SMILESC/C=C(C(=O)Nc1ccccc1)\C(C=O)=C/C(=C/C=O)C(=O)N(C)C
InChIInChI=1S/C19H20N2O4/c1-4-17(18(24)20-16-8-6-5-7-9-16)15(13-23)12-14(10-11-22)19(25)21(2)3/h4-13H,1-3H3,(H,20,24)/b14-10-,15-12-,17-4+
InChIKeyHYSADIBKGBYWMI-NURAFPBYSA-N
XLogP1.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide?
The IUPAC name of (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide (CID 143906121) is (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide.
What is the SMILES notation for (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide?
The canonical SMILES for (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide is C/C=C(C(=O)Nc1ccccc1)\C(C=O)=C/C(=C/C=O)C(=O)N(C)C.
What is the InChIKey of (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide?
The InChIKey is HYSADIBKGBYWMI-NURAFPBYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-17(18(24)20-16-8-6-5-7-9-16)15(13-23)12-14(10-11-22)19(25)21(2)3/h4-13H,1-3H3,(H,20,24)/b14-10-,15-12-,17-4+.
What are the key properties of (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide?
(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide has a molecular weight of 340.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide is sourced from PubChem (CID 143906121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).