N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide

C13H19N3O — CID 43375431

IUPACN-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(N)c1NC(=O)CN1CCCC1
InChIInChI=1S/C13H19N3O/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16/h4-6H,2-3,7-9,14H2,1H3,(H,15,17)
InChIKeyXKUUQWUIWAHSBD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.61
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide

N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 43375431) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID43375431
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(N)c1NC(=O)CN1CCCC1
InChIInChI=1S/C13H19N3O/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16/h4-6H,2-3,7-9,14H2,1H3,(H,15,17)
InChIKeyXKUUQWUIWAHSBD-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.61
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

1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(2-amino-6-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490459
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide (CID 43375431) is N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide is Cc1cccc(N)c1NC(=O)CN1CCCC1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is XKUUQWUIWAHSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16/h4-6H,2-3,7-9,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 43375431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).