N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide

C20H32N2O — CID 6012632

IUPACN-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-5-6-7-8-9-10-11-19(23)22-21-16-17-12-14-18(15-13-17)20(2,3)4/h12-16H,5-11H2,1-4H3,(H,22,23)/b21-16+
InChIKeyGPASOFHWMAKGMG-LTGZKZEYSA-N
MW316.49 g/mol
LogP5.18
Rot. Bonds9

About N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide

N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide (PubChem CID 6012632) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
PubChem CID6012632
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-5-6-7-8-9-10-11-19(23)22-21-16-17-12-14-18(15-13-17)20(2,3)4/h12-16H,5-11H2,1-4H3,(H,22,23)/b21-16+
InChIKeyGPASOFHWMAKGMG-LTGZKZEYSA-N
XLogP5.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide?
The IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide (CID 6012632) is N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide.
What is the SMILES notation for N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide?
The canonical SMILES for N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide?
The InChIKey is GPASOFHWMAKGMG-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-6-7-8-9-10-11-19(23)22-21-16-17-12-14-18(15-13-17)20(2,3)4/h12-16H,5-11H2,1-4H3,(H,22,23)/b21-16+.
What are the key properties of N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide?
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide has a molecular weight of 316.49 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide is sourced from PubChem (CID 6012632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).