N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide

C18H27N3O3 — CID 132564613

IUPACN-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1C(=O)C(=O)NCCN(C)C
InChIInChI=1S/C18H27N3O3/c1-4-5-6-11-16(22)20-15-10-8-7-9-14(15)17(23)18(24)19-12-13-21(2)3/h7-10H,4-6,11-13H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyBJKTXCZQYWBOKO-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.07
Rot. Bonds10

About N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide

N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide (PubChem CID 132564613) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide
PubChem CID132564613
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1C(=O)C(=O)NCCN(C)C
InChIInChI=1S/C18H27N3O3/c1-4-5-6-11-16(22)20-15-10-8-7-9-14(15)17(23)18(24)19-12-13-21(2)3/h7-10H,4-6,11-13H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyBJKTXCZQYWBOKO-UHFFFAOYSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
CID 21232282
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
CID 3069734
N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide
CID 54791242
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide?
The IUPAC name of N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide (CID 132564613) is N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide.
What is the SMILES notation for N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide?
The canonical SMILES for N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1C(=O)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide?
The InChIKey is BJKTXCZQYWBOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-5-6-11-16(22)20-15-10-8-7-9-14(15)17(23)18(24)19-12-13-21(2)3/h7-10H,4-6,11-13H2,1-3H3,(H,19,24)(H,20,22).
What are the key properties of N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide?
N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide has a molecular weight of 333.43 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide is sourced from PubChem (CID 132564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).