3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride

C16H25ClN2O — CID 119259979

IUPAC3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCNCc1ccccc1NC(=O)CCC1CCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-17-12-14-8-4-5-9-15(14)18-16(19)11-10-13-6-2-3-7-13;/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3,(H,18,19);1H
InChIKeyVQDJTBQMRCVRKN-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.74
Rot. Bonds6

About 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride

3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride (PubChem CID 119259979) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
PubChem CID119259979
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCNCc1ccccc1NC(=O)CCC1CCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-17-12-14-8-4-5-9-15(14)18-16(19)11-10-13-6-2-3-7-13;/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3,(H,18,19);1H
InChIKeyVQDJTBQMRCVRKN-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride (CID 119259979) is 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride is CNCc1ccccc1NC(=O)CCC1CCCC1.Cl.
What is the InChIKey of 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride?
The InChIKey is VQDJTBQMRCVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-17-12-14-8-4-5-9-15(14)18-16(19)11-10-13-6-2-3-7-13;/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3,(H,18,19);1H.
What are the key properties of 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride?
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119259979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).