methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

C21H26N3O2+ — CID 8791101

IUPACmethyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
SMILESCc1ccccc1C[NH+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-16-6-3-4-7-17(16)14-23(2)15-20(25)22-18-9-11-19(12-10-18)24-13-5-8-21(24)26/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25)/p+1
InChIKeyZPWRPXRTKZQQRM-UHFFFAOYSA-O
MW352.46 g/mol
LogP1.78
Rot. Bonds6

About methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (PubChem CID 8791101) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
PubChem CID8791101
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Namemethyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
SMILESCc1ccccc1C[NH+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-16-6-3-4-7-17(16)14-23(2)15-20(25)22-18-9-11-19(12-10-18)24-13-5-8-21(24)26/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25)/p+1
InChIKeyZPWRPXRTKZQQRM-UHFFFAOYSA-O
XLogP1.78
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8596314
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8793414
methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790197
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium
CID 8810175
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8694839
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The IUPAC name of methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (CID 8791101) is methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.
What is the SMILES notation for methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The canonical SMILES for methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is Cc1ccccc1C[NH+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
The InChIKey is ZPWRPXRTKZQQRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O2/c1-16-6-3-4-7-17(16)14-23(2)15-20(25)22-18-9-11-19(12-10-18)24-13-5-8-21(24)26/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25)/p+1.
What are the key properties of methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium has a molecular weight of 352.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is sourced from PubChem (CID 8791101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).