N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide

C16H23N3O2 — CID 104510900

IUPACN-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C16H23N3O2/c1-10(2)12-6-16(21)19(8-12)9-15(20)18-14-7-13(17)5-4-11(14)3/h4-5,7,10,12H,6,8-9,17H2,1-3H3,(H,18,20)
InChIKeyCHTTXTSZFFCEPC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.02
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide

N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 104510900) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
PubChem CID104510900
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C16H23N3O2/c1-10(2)12-6-16(21)19(8-12)9-15(20)18-14-7-13(17)5-4-11(14)3/h4-5,7,10,12H,6,8-9,17H2,1-3H3,(H,18,20)
InChIKeyCHTTXTSZFFCEPC-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.02
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-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512179
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
CID 63103700
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61439794
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568692
N-(5-amino-2-methylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120568684

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide (CID 104510900) is N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)CN1CC(C(C)C)CC1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is CHTTXTSZFFCEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)12-6-16(21)19(8-12)9-15(20)18-14-7-13(17)5-4-11(14)3/h4-5,7,10,12H,6,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 104510900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).