N-[[4-(diethylamino)phenyl]methylideneamino]octanamide

C19H31N3O — CID 3333467

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1ccc(N(CC)CC)cc1
InChIInChI=1S/C19H31N3O/c1-4-7-8-9-10-11-19(23)21-20-16-17-12-14-18(15-13-17)22(5-2)6-3/h12-16H,4-11H2,1-3H3,(H,21,23)
InChIKeyYDFRGZPQZZTKHJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.34
Rot. Bonds11

About N-[[4-(diethylamino)phenyl]methylideneamino]octanamide

N-[[4-(diethylamino)phenyl]methylideneamino]octanamide (PubChem CID 3333467) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]octanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]octanamide
PubChem CID3333467
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]octanamide
SMILESCCCCCCCC(=O)NN=Cc1ccc(N(CC)CC)cc1
InChIInChI=1S/C19H31N3O/c1-4-7-8-9-10-11-19(23)21-20-16-17-12-14-18(15-13-17)22(5-2)6-3/h12-16H,4-11H2,1-3H3,(H,21,23)
InChIKeyYDFRGZPQZZTKHJ-UHFFFAOYSA-N
XLogP4.34
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
methyl 8-[(2E)-2-[[4-(dibutylamino)phenyl]methylidene]hydrazinyl]-8-oxooctanoate
CID 23749429
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]octanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]octanamide (CID 3333467) is N-[[4-(diethylamino)phenyl]methylideneamino]octanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]octanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]octanamide is CCCCCCCC(=O)NN=Cc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]octanamide?
The InChIKey is YDFRGZPQZZTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-7-8-9-10-11-19(23)21-20-16-17-12-14-18(15-13-17)22(5-2)6-3/h12-16H,4-11H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]octanamide?
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide has a molecular weight of 317.48 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]octanamide is sourced from PubChem (CID 3333467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).