N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H24ClN3O2 — CID 119719041

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCN(C)C(=O)Cc1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-19(2)16(21)10-12-5-7-13(8-6-12)18-15(20)11-14-4-3-9-17-14;/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20);1H
InChIKeyYMWMYCKRTCRGOA-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.82
Rot. Bonds5

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119719041) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119719041
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCN(C)C(=O)Cc1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-19(2)16(21)10-12-5-7-13(8-6-12)18-15(20)11-14-4-3-9-17-14;/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20);1H
InChIKeyYMWMYCKRTCRGOA-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119717935
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 119808865

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119719041) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CN(C)C(=O)Cc1ccc(NC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is YMWMYCKRTCRGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-19(2)16(21)10-12-5-7-13(8-6-12)18-15(20)11-14-4-3-9-17-14;/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).