N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide

C15H21N3O2 — CID 63103700

IUPACN-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CC(C)CC1=O
InChIInChI=1S/C15H21N3O2/c1-10-7-15(20)18(9-10)6-5-14(19)17-13-4-3-12(16)8-11(13)2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,19)
InChIKeyWFOGFXJVPAJYLD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide

N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide (PubChem CID 63103700) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
PubChem CID63103700
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN1CC(C)CC1=O
InChIInChI=1S/C15H21N3O2/c1-10-7-15(20)18(9-10)6-5-14(19)17-13-4-3-12(16)8-11(13)2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,19)
InChIKeyWFOGFXJVPAJYLD-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(4-amino-2-methylphenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62491301
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(4-amino-2-methylphenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964918
N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63103199
N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 62921618
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
CID 104510900
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
N-(4-amino-2-methylphenyl)propanamide
CID 839309

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide (CID 63103700) is N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide is Cc1cc(N)ccc1NC(=O)CCN1CC(C)CC1=O.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is WFOGFXJVPAJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-7-15(20)18(9-10)6-5-14(19)17-13-4-3-12(16)8-11(13)2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 63103700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).