2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

C14H20ClN3O3 — CID 119328833

IUPAC2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCOc1ccc(CN2CCC(NC(=O)CN)C2=O)cc1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-20-11-4-2-10(3-5-11)9-17-7-6-12(14(17)19)16-13(18)8-15;/h2-5,12H,6-9,15H2,1H3,(H,16,18);1H
InChIKeyIKSOXRKHBZPOQW-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride

2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 119328833) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID119328833
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
SMILESCOc1ccc(CN2CCC(NC(=O)CN)C2=O)cc1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-20-11-4-2-10(3-5-11)9-17-7-6-12(14(17)19)16-13(18)8-15;/h2-5,12H,6-9,15H2,1H3,(H,16,18);1H
InChIKeyIKSOXRKHBZPOQW-UHFFFAOYSA-N
XLogP0.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119328855
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 126788506
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxoazepan-3-yl]formamide
CID 87870078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride (CID 119328833) is 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is COc1ccc(CN2CCC(NC(=O)CN)C2=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is IKSOXRKHBZPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-20-11-4-2-10(3-5-11)9-17-7-6-12(14(17)19)16-13(18)8-15;/h2-5,12H,6-9,15H2,1H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride?
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119328833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).