N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide

C26H30N4O2 — CID 6369714

IUPACN,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
SMILESCC(/C=N\NC(=O)CCCCC(=O)N/N=C\C(C)=C\c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-21(17-23-11-5-3-6-12-23)19-27-29-25(31)15-9-10-16-26(32)30-28-20-22(2)18-24-13-7-4-8-14-24/h3-8,11-14,17-20H,9-10,15-16H2,1-2H3,(H,29,31)(H,30,32)/b21-17+,22-18+,27-19-,28-20-
InChIKeyRTQBUBOGZYYOFB-QXNQCOBNSA-N
MW430.55 g/mol
LogP4.96
Rot. Bonds11

About N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide

N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide (PubChem CID 6369714) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
PubChem CID6369714
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
SMILESCC(/C=N\NC(=O)CCCCC(=O)N/N=C\C(C)=C\c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C26H30N4O2/c1-21(17-23-11-5-3-6-12-23)19-27-29-25(31)15-9-10-16-26(32)30-28-20-22(2)18-24-13-7-4-8-14-24/h3-8,11-14,17-20H,9-10,15-16H2,1-2H3,(H,29,31)(H,30,32)/b21-17+,22-18+,27-19-,28-20-
InChIKeyRTQBUBOGZYYOFB-QXNQCOBNSA-N
XLogP4.96
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
4-(4-chloro-2-methylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]butanamide
CID 4613145
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6863885
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6382683
3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
CID 2868442

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide?
The IUPAC name of N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide (CID 6369714) is N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide.
What is the SMILES notation for N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide?
The canonical SMILES for N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide is CC(/C=N\NC(=O)CCCCC(=O)N/N=C\C(C)=C\c1ccccc1)=C\c1ccccc1.
What is the InChIKey of N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide?
The InChIKey is RTQBUBOGZYYOFB-QXNQCOBNSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-21(17-23-11-5-3-6-12-23)19-27-29-25(31)15-9-10-16-26(32)30-28-20-22(2)18-24-13-7-4-8-14-24/h3-8,11-14,17-20H,9-10,15-16H2,1-2H3,(H,29,31)(H,30,32)/b21-17+,22-18+,27-19-,28-20-.
What are the key properties of N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide?
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide has a molecular weight of 430.55 g/mol, XLogP of 4.96, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide is sourced from PubChem (CID 6369714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).