2-amino-6-methyl-N-(7-methyloctyl)benzamide

C17H28N2O — CID 107814563

IUPAC2-amino-6-methyl-N-(7-methyloctyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCCCCCCC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)9-6-4-5-7-12-19-17(20)16-14(3)10-8-11-15(16)18/h8,10-11,13H,4-7,9,12,18H2,1-3H3,(H,19,20)
InChIKeyYVCIYSJLYUFBJK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.91
Rot. Bonds8

About 2-amino-6-methyl-N-(7-methyloctyl)benzamide

2-amino-6-methyl-N-(7-methyloctyl)benzamide (PubChem CID 107814563) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(7-methyloctyl)benzamide
PubChem CID107814563
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-6-methyl-N-(7-methyloctyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCCCCCCC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)9-6-4-5-7-12-19-17(20)16-14(3)10-8-11-15(16)18/h8,10-11,13H,4-7,9,12,18H2,1-3H3,(H,19,20)
InChIKeyYVCIYSJLYUFBJK-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-6-methyl-N-(7-methyloctyl)benzamide 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

2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(7-methyloctyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(7-methyloctyl)benzamide (CID 107814563) is 2-amino-6-methyl-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(7-methyloctyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(7-methyloctyl)benzamide is Cc1cccc(N)c1C(=O)NCCCCCCC(C)C.
What is the InChIKey of 2-amino-6-methyl-N-(7-methyloctyl)benzamide?
The InChIKey is YVCIYSJLYUFBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)9-6-4-5-7-12-19-17(20)16-14(3)10-8-11-15(16)18/h8,10-11,13H,4-7,9,12,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-6-methyl-N-(7-methyloctyl)benzamide?
2-amino-6-methyl-N-(7-methyloctyl)benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 107814563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).