N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide

C23H30N6O2 — CID 45356630

IUPACN,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
SMILESCCC(C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C23H30N6O2/c1-6-21(22(30)26-24-15-17-7-11-19(12-8-17)28(2)3)23(31)27-25-16-18-9-13-20(14-10-18)29(4)5/h7-16,21H,6H2,1-5H3,(H,26,30)(H,27,31)/b24-15+,25-16+
InChIKeyARRKORKYNXEQHN-FEZYOMQXSA-N
MW422.53 g/mol
LogP2.45
Rot. Bonds9

About N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide

N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide (PubChem CID 45356630) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
PubChem CID45356630
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
SMILESCCC(C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C23H30N6O2/c1-6-21(22(30)26-24-15-17-7-11-19(12-8-17)28(2)3)23(31)27-25-16-18-9-13-20(14-10-18)29(4)5/h7-16,21H,6H2,1-5H3,(H,26,30)(H,27,31)/b24-15+,25-16+
InChIKeyARRKORKYNXEQHN-FEZYOMQXSA-N
XLogP2.45
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
CID 45356627
2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide
CID 90486858
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 5403284
(2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 763383
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728669
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide?
The IUPAC name of N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide (CID 45356630) is N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide.
What is the SMILES notation for N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide?
The canonical SMILES for N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide is CCC(C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide?
The InChIKey is ARRKORKYNXEQHN-FEZYOMQXSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-6-21(22(30)26-24-15-17-7-11-19(12-8-17)28(2)3)23(31)27-25-16-18-9-13-20(14-10-18)29(4)5/h7-16,21H,6H2,1-5H3,(H,26,30)(H,27,31)/b24-15+,25-16+.
What are the key properties of N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide?
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide has a molecular weight of 422.53 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide is sourced from PubChem (CID 45356630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).