N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide

C18H29N3O — CID 6177715

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
SMILESCCCCCCCCCC(=O)N/N=C(\C)c1ccc(N)cc1
InChIInChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-10-18(22)21-20-15(2)16-11-13-17(19)14-12-16/h11-14H,3-10,19H2,1-2H3,(H,21,22)/b20-15+
InChIKeyLLGYSKDQSVXCHC-HMMYKYKNSA-N
MW303.45 g/mol
LogP4.25
Rot. Bonds10

About N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide (PubChem CID 6177715) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
PubChem CID6177715
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
SMILESCCCCCCCCCC(=O)N/N=C(\C)c1ccc(N)cc1
InChIInChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-10-18(22)21-20-15(2)16-11-13-17(19)14-12-16/h11-14H,3-10,19H2,1-2H3,(H,21,22)/b20-15+
InChIKeyLLGYSKDQSVXCHC-HMMYKYKNSA-N
XLogP4.25
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide (CID 6177715) is N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide is CCCCCCCCCC(=O)N/N=C(\C)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide?
The InChIKey is LLGYSKDQSVXCHC-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-5-6-7-8-9-10-18(22)21-20-15(2)16-11-13-17(19)14-12-16/h11-14H,3-10,19H2,1-2H3,(H,21,22)/b20-15+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide has a molecular weight of 303.45 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide is sourced from PubChem (CID 6177715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).