(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide

C20H20N2O2 — CID 102438932

IUPAC(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
SMILESO=C(/C=C\C=C/C(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-7-,14-8-
InChIKeyMIBTYCQLCCBSDV-PVRNWPCDSA-N
MW320.39 g/mol
LogP2.73
Rot. Bonds7

About (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide

(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide (PubChem CID 102438932) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide.

Molecular Properties

Compound Name(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
PubChem CID102438932
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
SMILESO=C(/C=C\C=C/C(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-7-,14-8-
InChIKeyMIBTYCQLCCBSDV-PVRNWPCDSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
CID 101460565
(E)-N-benzyl-3-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enamide
CID 10478171
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357
N-[[3-(hydroxymethyl)phenyl]methyl]hexa-2,4-dienamide
CID 76990334
N'-benzyloxamide
CID 561416
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide?
The IUPAC name of (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide (CID 102438932) is (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide.
What is the SMILES notation for (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide?
The canonical SMILES for (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide is O=C(/C=C\C=C/C(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide?
The InChIKey is MIBTYCQLCCBSDV-PVRNWPCDSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-7-,14-8-.
What are the key properties of (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide?
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide has a molecular weight of 320.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide is sourced from PubChem (CID 102438932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).