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

C17H26ClN3O3 — CID 119792938

IUPACN-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(Cc2ccc(OC)cc2)C1=O.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-18-10-3-4-16(21)19-15-9-11-20(17(15)22)12-13-5-7-14(23-2)8-6-13;/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,19,21);1H
InChIKeyZIWFDEGHECGHBB-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.33
Rot. Bonds8

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

N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119792938) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119792938
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(Cc2ccc(OC)cc2)C1=O.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-18-10-3-4-16(21)19-15-9-11-20(17(15)22)12-13-5-7-14(23-2)8-6-13;/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,19,21);1H
InChIKeyZIWFDEGHECGHBB-UHFFFAOYSA-N
XLogP1.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119328855
4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 119784798
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 126788506
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N,N'-bis[1-[(4-aminophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11226606
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride (CID 119792938) is N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC1CCN(Cc2ccc(OC)cc2)C1=O.Cl.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZIWFDEGHECGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-18-10-3-4-16(21)19-15-9-11-20(17(15)22)12-13-5-7-14(23-2)8-6-13;/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride?
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119792938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).