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

C15H23N3O — CID 63216439

IUPACN-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCC1(C)C
InChIInChI=1S/C15H23N3O/c1-11-9-12(16)5-6-13(11)17-14(19)10-18-8-4-7-15(18,2)3/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyHIVSGPZIUFDCED-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.39
Rot. Bonds3

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

N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide (PubChem CID 63216439) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
PubChem CID63216439
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCC1(C)C
InChIInChI=1S/C15H23N3O/c1-11-9-12(16)5-6-13(11)17-14(19)10-18-8-4-7-15(18,2)3/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyHIVSGPZIUFDCED-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216260
4-chloro-3-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 63219604
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 16794615
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361414
1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026228
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide (CID 63216439) is N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide is Cc1cc(N)ccc1NC(=O)CN1CCCC1(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
The InChIKey is HIVSGPZIUFDCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-12(16)5-6-13(11)17-14(19)10-18-8-4-7-15(18,2)3/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide?
N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.39, 3 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)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 63216439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).