2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide

C15H22N2O — CID 121263581

IUPAC2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
SMILESCc1cc(C)c(/C=N/NC(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)13(12(3)8-10)9-16-17-14(18)15(4,5)6/h7-9H,1-6H3,(H,17,18)/b16-9+
InChIKeyZMHVWCMBEUHLBT-CXUHLZMHSA-N
MW246.35 g/mol
LogP3.11
Rot. Bonds2

About 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide

2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide (PubChem CID 121263581) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
PubChem CID121263581
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
SMILESCc1cc(C)c(/C=N/NC(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)13(12(3)8-10)9-16-17-14(18)15(4,5)6/h7-9H,1-6H3,(H,17,18)/b16-9+
InChIKeyZMHVWCMBEUHLBT-CXUHLZMHSA-N
XLogP3.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6910562
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
CID 139180603
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
CID 152758745
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-[(Z)-ethylideneamino]-2,2-dimethylpropanamide
CID 130468433
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
N-[(2,4,6-trimethylphenyl)methylideneamino]spiro[2.3]hexane-2-carboxamide
CID 2832984

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide (CID 121263581) is 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide is Cc1cc(C)c(/C=N/NC(=O)C(C)(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide?
The InChIKey is ZMHVWCMBEUHLBT-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(2)13(12(3)8-10)9-16-17-14(18)15(4,5)6/h7-9H,1-6H3,(H,17,18)/b16-9+.
What are the key properties of 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide?
2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide has a molecular weight of 246.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 121263581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).