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

C25H44N2O2 — CID 11361725

IUPACN-(3-amino-4-methoxyphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C25H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)27-22-19-20-24(29-2)23(26)21-22/h19-21H,3-18,26H2,1-2H3,(H,27,28)
InChIKeyALTUBRNZSBGFOG-UHFFFAOYSA-N
MW404.64 g/mol
LogP7.48
Rot. Bonds18

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

N-(3-amino-4-methoxyphenyl)octadecanamide (PubChem CID 11361725) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)octadecanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)octadecanamide
PubChem CID11361725
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC NameN-(3-amino-4-methoxyphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C25H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)27-22-19-20-24(29-2)23(26)21-22/h19-21H,3-18,26H2,1-2H3,(H,27,28)
InChIKeyALTUBRNZSBGFOG-UHFFFAOYSA-N
XLogP7.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 57.48
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'}

Analyze N-(3-amino-4-methoxyphenyl)octadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
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)octadecanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)octadecanamide (CID 11361725) is N-(3-amino-4-methoxyphenyl)octadecanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)octadecanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(N)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)octadecanamide?
The InChIKey is ALTUBRNZSBGFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)27-22-19-20-24(29-2)23(26)21-22/h19-21H,3-18,26H2,1-2H3,(H,27,28).
What are the key properties of N-(3-amino-4-methoxyphenyl)octadecanamide?
N-(3-amino-4-methoxyphenyl)octadecanamide has a molecular weight of 404.64 g/mol, XLogP of 7.48, 18 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)octadecanamide is sourced from PubChem (CID 11361725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).