2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

C19H25ClN2O — CID 119537609

IUPAC2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCC(C(=O)NCCC1CCNC1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(19(22)21-11-9-15-8-10-20-13-15)17-7-6-16-4-2-3-5-18(16)12-17;/h2-7,12,14-15,20H,8-11,13H2,1H3,(H,21,22);1H
InChIKeyULMLCXIQZRFVIO-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.48
Rot. Bonds5

About 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119537609) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119537609
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCC(C(=O)NCCC1CCNC1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(19(22)21-11-9-15-8-10-20-13-15)17-7-6-16-4-2-3-5-18(16)12-17;/h2-7,12,14-15,20H,8-11,13H2,1H3,(H,21,22);1H
InChIKeyULMLCXIQZRFVIO-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (CID 119537609) is 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is CC(C(=O)NCCC1CCNC1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is ULMLCXIQZRFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-14(19(22)21-11-9-15-8-10-20-13-15)17-7-6-16-4-2-3-5-18(16)12-17;/h2-7,12,14-15,20H,8-11,13H2,1H3,(H,21,22);1H.
What are the key properties of 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119537609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).