5-amino-N-cyclooctyl-N,2-dimethylbenzamide

C17H26N2O — CID 120629477

IUPAC5-amino-N-cyclooctyl-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCCCCCC1
InChIInChI=1S/C17H26N2O/c1-13-10-11-14(18)12-16(13)17(20)19(2)15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,18H2,1-2H3
InChIKeyMTIJJPJKAZKAJY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.76
Rot. Bonds2

About 5-amino-N-cyclooctyl-N,2-dimethylbenzamide

5-amino-N-cyclooctyl-N,2-dimethylbenzamide (PubChem CID 120629477) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-amino-N-cyclooctyl-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-cyclooctyl-N,2-dimethylbenzamide
PubChem CID120629477
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-amino-N-cyclooctyl-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCCCCCC1
InChIInChI=1S/C17H26N2O/c1-13-10-11-14(18)12-16(13)17(20)19(2)15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,18H2,1-2H3
InChIKeyMTIJJPJKAZKAJY-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-cyclooctyl-N,2-dimethylbenzamide 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

5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
CID 120638288
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclooctyl-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-cyclooctyl-N,2-dimethylbenzamide (CID 120629477) is 5-amino-N-cyclooctyl-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-cyclooctyl-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-cyclooctyl-N,2-dimethylbenzamide is Cc1ccc(N)cc1C(=O)N(C)C1CCCCCCC1.
What is the InChIKey of 5-amino-N-cyclooctyl-N,2-dimethylbenzamide?
The InChIKey is MTIJJPJKAZKAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-10-11-14(18)12-16(13)17(20)19(2)15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,18H2,1-2H3.
What are the key properties of 5-amino-N-cyclooctyl-N,2-dimethylbenzamide?
5-amino-N-cyclooctyl-N,2-dimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclooctyl-N,2-dimethylbenzamide is sourced from PubChem (CID 120629477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).