5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide

C17H26N2O — CID 120629879

IUPAC5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CCC1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13-8-9-15(18)12-16(13)17(20)19(2)11-10-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3
InChIKeyWZUNKDXGXBOOOO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.62
Rot. Bonds4

About 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide

5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide (PubChem CID 120629879) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
PubChem CID120629879
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CCC1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13-8-9-15(18)12-16(13)17(20)19(2)11-10-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3
InChIKeyWZUNKDXGXBOOOO-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2-cyclohexylethyl)-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-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735
2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 122153503
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide (CID 120629879) is 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide is Cc1ccc(N)cc1C(=O)N(C)CCC1CCCCC1.
What is the InChIKey of 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide?
The InChIKey is WZUNKDXGXBOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-8-9-15(18)12-16(13)17(20)19(2)11-10-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3.
What are the key properties of 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide?
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 120629879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).