2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide

C14H21N3O — CID 62068769

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCC(N)C2)c1
InChIInChI=1S/C14H21N3O/c1-10-3-4-11(2)13(7-10)16-14(18)9-17-6-5-12(15)8-17/h3-4,7,12H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyVSBASBWLGMIWNY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.27
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide

2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 62068769) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID62068769
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCC(N)C2)c1
InChIInChI=1S/C14H21N3O/c1-10-3-4-11(2)13(7-10)16-14(18)9-17-6-5-12(15)8-17/h3-4,7,12H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyVSBASBWLGMIWNY-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119926850
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-(4-aminopiperidin-1-yl)-N-(5-cyano-2-methylphenyl)acetamide
CID 79327658
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide
CID 97221010

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide (CID 62068769) is 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN2CCC(N)C2)c1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is VSBASBWLGMIWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-3-4-11(2)13(7-10)16-14(18)9-17-6-5-12(15)8-17/h3-4,7,12H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 62068769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).