N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H22ClN3O2 — CID 119783040

IUPACN-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.NC(=O)CN(Cc1ccccc1)C(=O)CC1CCCN1
InChIInChI=1S/C15H21N3O2.ClH/c16-14(19)11-18(10-12-5-2-1-3-6-12)15(20)9-13-7-4-8-17-13;/h1-3,5-6,13,17H,4,7-11H2,(H2,16,19);1H
InChIKeyXFTKUAICVLRTQD-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.06
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119783040) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119783040
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.NC(=O)CN(Cc1ccccc1)C(=O)CC1CCCN1
InChIInChI=1S/C15H21N3O2.ClH/c16-14(19)11-18(10-12-5-2-1-3-6-12)15(20)9-13-7-4-8-17-13;/h1-3,5-6,13,17H,4,7-11H2,(H2,16,19);1H
InChIKeyXFTKUAICVLRTQD-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119816686
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119821295
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119878082
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119783040) is N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.NC(=O)CN(Cc1ccccc1)C(=O)CC1CCCN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is XFTKUAICVLRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-14(19)11-18(10-12-5-2-1-3-6-12)15(20)9-13-7-4-8-17-13;/h1-3,5-6,13,17H,4,7-11H2,(H2,16,19);1H.
What are the key properties of N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).