N-[(E)-(4-propylphenyl)methylideneamino]decanamide

C20H32N2O — CID 6012136

IUPACN-[(E)-(4-propylphenyl)methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)N/N=C/c1ccc(CCC)cc1
InChIInChI=1S/C20H32N2O/c1-3-5-6-7-8-9-10-12-20(23)22-21-17-19-15-13-18(11-4-2)14-16-19/h13-17H,3-12H2,1-2H3,(H,22,23)/b21-17+
InChIKeyCXZUJNHFHDDCGD-HEHNFIMWSA-N
MW316.49 g/mol
LogP5.23
Rot. Bonds12

About N-[(E)-(4-propylphenyl)methylideneamino]decanamide

N-[(E)-(4-propylphenyl)methylideneamino]decanamide (PubChem CID 6012136) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(E)-(4-propylphenyl)methylideneamino]decanamide.

Molecular Properties

Compound NameN-[(E)-(4-propylphenyl)methylideneamino]decanamide
PubChem CID6012136
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[(E)-(4-propylphenyl)methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)N/N=C/c1ccc(CCC)cc1
InChIInChI=1S/C20H32N2O/c1-3-5-6-7-8-9-10-12-20(23)22-21-17-19-15-13-18(11-4-2)14-16-19/h13-17H,3-12H2,1-2H3,(H,22,23)/b21-17+
InChIKeyCXZUJNHFHDDCGD-HEHNFIMWSA-N
XLogP5.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.23
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

N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
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
methyl 4-[(Z)-(hexadecanoylhydrazinylidene)methyl]benzoate
CID 98298248

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-propylphenyl)methylideneamino]decanamide?
The IUPAC name of N-[(E)-(4-propylphenyl)methylideneamino]decanamide (CID 6012136) is N-[(E)-(4-propylphenyl)methylideneamino]decanamide.
What is the SMILES notation for N-[(E)-(4-propylphenyl)methylideneamino]decanamide?
The canonical SMILES for N-[(E)-(4-propylphenyl)methylideneamino]decanamide is CCCCCCCCCC(=O)N/N=C/c1ccc(CCC)cc1.
What is the InChIKey of N-[(E)-(4-propylphenyl)methylideneamino]decanamide?
The InChIKey is CXZUJNHFHDDCGD-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-5-6-7-8-9-10-12-20(23)22-21-17-19-15-13-18(11-4-2)14-16-19/h13-17H,3-12H2,1-2H3,(H,22,23)/b21-17+.
What are the key properties of N-[(E)-(4-propylphenyl)methylideneamino]decanamide?
N-[(E)-(4-propylphenyl)methylideneamino]decanamide has a molecular weight of 316.49 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-propylphenyl)methylideneamino]decanamide is sourced from PubChem (CID 6012136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).