N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide

C16H20N4O2 — CID 176543341

IUPACN'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
SMILESC=C=NNC(=O)CCCCC(=O)N/N=C/c1cccc(C)c1
InChIInChI=1S/C16H20N4O2/c1-3-17-19-15(21)9-4-5-10-16(22)20-18-12-14-8-6-7-13(2)11-14/h6-8,11-12H,1,4-5,9-10H2,2H3,(H,19,21)(H,20,22)/b18-12+
InChIKeyBOLJDEUTUNTNRJ-LDADJPATSA-N
MW300.36 g/mol
LogP1.89
Rot. Bonds8

About N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide

N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide (PubChem CID 176543341) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide.

Molecular Properties

Compound NameN'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
PubChem CID176543341
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
SMILESC=C=NNC(=O)CCCCC(=O)N/N=C/c1cccc(C)c1
InChIInChI=1S/C16H20N4O2/c1-3-17-19-15(21)9-4-5-10-16(22)20-18-12-14-8-6-7-13(2)11-14/h6-8,11-12H,1,4-5,9-10H2,2H3,(H,19,21)(H,20,22)/b18-12+
InChIKeyBOLJDEUTUNTNRJ-LDADJPATSA-N
XLogP1.89
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.89
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-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
CID 3285949
N'-[(3-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 15945666
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
2-(4-ethylpiperazin-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 5331709
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152

Frequently Asked Questions

What is the IUPAC name of N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide?
The IUPAC name of N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide (CID 176543341) is N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide.
What is the SMILES notation for N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide?
The canonical SMILES for N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide is C=C=NNC(=O)CCCCC(=O)N/N=C/c1cccc(C)c1.
What is the InChIKey of N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide?
The InChIKey is BOLJDEUTUNTNRJ-LDADJPATSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-17-19-15(21)9-4-5-10-16(22)20-18-12-14-8-6-7-13(2)11-14/h6-8,11-12H,1,4-5,9-10H2,2H3,(H,19,21)(H,20,22)/b18-12+.
What are the key properties of N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide?
N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide has a molecular weight of 300.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide is sourced from PubChem (CID 176543341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).