3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide

C16H24N2O — CID 115160809

IUPAC3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
SMILESCN(CCC1CCCCC1)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-18(11-10-13-6-3-2-4-7-13)16(19)14-8-5-9-15(17)12-14/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3
InChIKeyZFOJHRBVHWGSQC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds4

About 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide

3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide (PubChem CID 115160809) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
PubChem CID115160809
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
SMILESCN(CCC1CCCCC1)C(=O)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-18(11-10-13-6-3-2-4-7-13)16(19)14-8-5-9-15(17)12-14/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3
InChIKeyZFOJHRBVHWGSQC-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
CID 119894091
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
3-amino-N-methyl-N-propylbenzamide
CID 43270761
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
2-amino-1-N,3-N-bis(2-cyclopropylethyl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 122153503
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
CID 115212038
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide (CID 115160809) is 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide is CN(CCC1CCCCC1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide?
The InChIKey is ZFOJHRBVHWGSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(11-10-13-6-3-2-4-7-13)16(19)14-8-5-9-15(17)12-14/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide?
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide is sourced from PubChem (CID 115160809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).