N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide

C26H34N4O2 — CID 5110124

IUPACN,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
SMILESCc1cc(C)c(C=NNC(=O)CCCCC(=O)NN=Cc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C26H34N4O2/c1-17-11-19(3)23(20(4)12-17)15-27-29-25(31)9-7-8-10-26(32)30-28-16-24-21(5)13-18(2)14-22(24)6/h11-16H,7-10H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyDKDKHFLUBZOKSB-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.70
Rot. Bonds9

About N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide

N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide (PubChem CID 5110124) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
PubChem CID5110124
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
SMILESCc1cc(C)c(C=NNC(=O)CCCCC(=O)NN=Cc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C26H34N4O2/c1-17-11-19(3)23(20(4)12-17)15-27-29-25(31)9-7-8-10-26(32)30-28-16-24-21(5)13-18(2)14-22(24)6/h11-16H,7-10H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyDKDKHFLUBZOKSB-UHFFFAOYSA-N
XLogP4.70
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.70
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

2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 121263581
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6910562
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 8867086
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9174623
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide (CID 5110124) is N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide is Cc1cc(C)c(C=NNC(=O)CCCCC(=O)NN=Cc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide?
The InChIKey is DKDKHFLUBZOKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-17-11-19(3)23(20(4)12-17)15-27-29-25(31)9-7-8-10-26(32)30-28-16-24-21(5)13-18(2)14-22(24)6/h11-16H,7-10H2,1-6H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide?
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide has a molecular weight of 434.58 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide is sourced from PubChem (CID 5110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).