4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride

C18H29ClN2O — CID 119533754

IUPAC4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
SMILESCC(C)C(CC(=O)NCCC1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(2)17(16-6-4-3-5-7-16)12-18(21)20-11-9-15-8-10-19-13-15;/h3-7,14-15,17,19H,8-13H2,1-2H3,(H,20,21);1H
InChIKeyOHSGJQWSOBNJFF-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.35
Rot. Bonds7

About 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride

4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride (PubChem CID 119533754) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
PubChem CID119533754
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
SMILESCC(C)C(CC(=O)NCCC1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(2)17(16-6-4-3-5-7-16)12-18(21)20-11-9-15-8-10-19-13-15;/h3-7,14-15,17,19H,8-13H2,1-2H3,(H,20,21);1H
InChIKeyOHSGJQWSOBNJFF-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537685
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride?
The IUPAC name of 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride (CID 119533754) is 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride?
The canonical SMILES for 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride is CC(C)C(CC(=O)NCCC1CCNC1)c1ccccc1.Cl.
What is the InChIKey of 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride?
The InChIKey is OHSGJQWSOBNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14(2)17(16-6-4-3-5-7-16)12-18(21)20-11-9-15-8-10-19-13-15;/h3-7,14-15,17,19H,8-13H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride?
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119533754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).