N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide

C15H23N3O — CID 79189234

IUPACN-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CC(C)C(C)C1
InChIInChI=1S/C15H23N3O/c1-10-4-5-13(16)6-14(10)17-15(19)9-18-7-11(2)12(3)8-18/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyQDQJHPJBLKTELR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.10
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide

N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide (PubChem CID 79189234) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
PubChem CID79189234
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CC(C)C(C)C1
InChIInChI=1S/C15H23N3O/c1-10-4-5-13(16)6-14(10)17-15(19)9-18-7-11(2)12(3)8-18/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyQDQJHPJBLKTELR-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.10
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)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
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-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829
N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(5-amino-2-methylphenyl)-2-[(3S,5R)-4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]acetamide
CID 59036020
N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
CID 104510900
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide (CID 79189234) is N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)CN1CC(C)C(C)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide?
The InChIKey is QDQJHPJBLKTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-5-13(16)6-14(10)17-15(19)9-18-7-11(2)12(3)8-18/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.10, 3 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-(3,4-dimethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 79189234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).