3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride

C17H27ClN2O — CID 120608410

IUPAC3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1ccccc1N)C1CCCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-19(15-9-4-2-3-5-10-15)17(20)13-12-14-8-6-7-11-16(14)18;/h6-8,11,15H,2-5,9-10,12-13,18H2,1H3;1H
InChIKeyVLSUNLRIPZEJMW-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.80
Rot. Bonds4

About 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride

3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride (PubChem CID 120608410) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
PubChem CID120608410
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1ccccc1N)C1CCCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-19(15-9-4-2-3-5-10-15)17(20)13-12-14-8-6-7-11-16(14)18;/h6-8,11,15H,2-5,9-10,12-13,18H2,1H3;1H
InChIKeyVLSUNLRIPZEJMW-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.80
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-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
CID 120611307
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
3-(2-aminophenyl)-N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)propanamide;dihydrochloride
CID 120613199
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
3-(2-aminophenyl)-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide;hydrochloride
CID 120610537

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride (CID 120608410) is 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride is CN(C(=O)CCc1ccccc1N)C1CCCCCC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride?
The InChIKey is VLSUNLRIPZEJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-19(15-9-4-2-3-5-10-15)17(20)13-12-14-8-6-7-11-16(14)18;/h6-8,11,15H,2-5,9-10,12-13,18H2,1H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride?
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120608410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).