N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide

C15H22N2O — CID 19685456

IUPACN-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
SMILESCCCC/C(C)=N/NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-5-6-7-13(4)16-17-15(18)14-9-8-11(2)12(3)10-14/h8-10H,5-7H2,1-4H3,(H,17,18)/b16-13+
InChIKeyBMQUAGDBRPSTAA-DTQAZKPQSA-N
MW246.35 g/mol
LogP3.60
Rot. Bonds5

About N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide

N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide (PubChem CID 19685456) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
PubChem CID19685456
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
SMILESCCCC/C(C)=N/NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-5-6-7-13(4)16-17-15(18)14-9-8-11(2)12(3)10-14/h8-10H,5-7H2,1-4H3,(H,17,18)/b16-13+
InChIKeyBMQUAGDBRPSTAA-DTQAZKPQSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.60
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

3-bromo-N-(hexan-2-ylideneamino)-4-methylbenzamide
CID 3260690
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide
CID 143880188
3-bromo-N-[(E)-heptan-3-ylideneamino]-4-methylbenzamide
CID 54785013
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
N-(3,4-dimethylphenyl)-N'-[(E)-heptan-2-ylideneamino]butanediamide
CID 54784789
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide?
The IUPAC name of N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide (CID 19685456) is N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide is CCCC/C(C)=N/NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide?
The InChIKey is BMQUAGDBRPSTAA-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-6-7-13(4)16-17-15(18)14-9-8-11(2)12(3)10-14/h8-10H,5-7H2,1-4H3,(H,17,18)/b16-13+.
What are the key properties of N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide?
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide is sourced from PubChem (CID 19685456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).