N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C20H24ClN3O3 — CID 119529526

IUPACN-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)NCC(N)c3ccccc3)CC2=O)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-17-9-7-16(8-10-17)23-13-15(11-19(23)24)20(25)22-12-18(21)14-5-3-2-4-6-14;/h2-10,15,18H,11-13,21H2,1H3,(H,22,25);1H
InChIKeyDZVVGMZWMMPYCG-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.29
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119529526) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119529526
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)NCC(N)c3ccccc3)CC2=O)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-17-9-7-16(8-10-17)23-13-15(11-19(23)24)20(25)22-12-18(21)14-5-3-2-4-6-14;/h2-10,15,18H,11-13,21H2,1H3,(H,22,25);1H
InChIKeyDZVVGMZWMMPYCG-UHFFFAOYSA-N
XLogP2.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-(2-amino-2-phenylethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119528407
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-(2-amino-2-phenylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119528051
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60591540
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119529526) is N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is COc1ccc(N2CC(C(=O)NCC(N)c3ccccc3)CC2=O)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DZVVGMZWMMPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-26-17-9-7-16(8-10-17)23-13-15(11-19(23)24)20(25)22-12-18(21)14-5-3-2-4-6-14;/h2-10,15,18H,11-13,21H2,1H3,(H,22,25);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119529526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).