N-(3-amino-4-methoxyphenyl)octanamide

C15H24N2O2 — CID 43599945

IUPACN-(3-amino-4-methoxyphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-15(18)17-12-9-10-14(19-2)13(16)11-12/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyFRLFZLYEKQHZEJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.58
Rot. Bonds8

About N-(3-amino-4-methoxyphenyl)octanamide

N-(3-amino-4-methoxyphenyl)octanamide (PubChem CID 43599945) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)octanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)octanamide
PubChem CID43599945
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-amino-4-methoxyphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-15(18)17-12-9-10-14(19-2)13(16)11-12/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyFRLFZLYEKQHZEJ-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
5-(heptanoylamino)-2-methoxybenzenesulfonyl chloride
CID 114752088
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
CID 119419203
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)octanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)octanamide (CID 43599945) is N-(3-amino-4-methoxyphenyl)octanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)octanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)octanamide is CCCCCCCC(=O)Nc1ccc(OC)c(N)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)octanamide?
The InChIKey is FRLFZLYEKQHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-6-7-8-15(18)17-12-9-10-14(19-2)13(16)11-12/h9-11H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-4-methoxyphenyl)octanamide?
N-(3-amino-4-methoxyphenyl)octanamide has a molecular weight of 264.37 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)octanamide is sourced from PubChem (CID 43599945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).