2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C15H23ClN2O — CID 119532603

IUPAC2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)Cc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-10-17(14-8-9-16-12-14)15(18)11-13-6-4-3-5-7-13;/h3-7,14,16H,2,8-12H2,1H3;1H
InChIKeyVPXUXPXXNOXGIQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.25
Rot. Bonds5

About 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119532603) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119532603
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)Cc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-10-17(14-8-9-16-12-14)15(18)11-13-6-4-3-5-7-13;/h3-7,14,16H,2,8-12H2,1H3;1H
InChIKeyVPXUXPXXNOXGIQ-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119532603) is 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)Cc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is VPXUXPXXNOXGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-10-17(14-8-9-16-12-14)15(18)11-13-6-4-3-5-7-13;/h3-7,14,16H,2,8-12H2,1H3;1H.
What are the key properties of 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119532603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).