2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide

C14H21N3O — CID 62067698

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCC(N)C2)c1
InChIInChI=1S/C14H21N3O/c1-2-11-4-3-5-13(8-11)16-14(18)10-17-7-6-12(15)9-17/h3-5,8,12H,2,6-7,9-10,15H2,1H3,(H,16,18)
InChIKeySWOMHALIMAUVTO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds4

About 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide

2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide (PubChem CID 62067698) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
PubChem CID62067698
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCC(N)C2)c1
InChIInChI=1S/C14H21N3O/c1-2-11-4-3-5-13(8-11)16-14(18)10-17-7-6-12(15)9-17/h3-5,8,12H,2,6-7,9-10,15H2,1H3,(H,16,18)
InChIKeySWOMHALIMAUVTO-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide (CID 62067698) is 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2CCC(N)C2)c1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide?
The InChIKey is SWOMHALIMAUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-11-4-3-5-13(8-11)16-14(18)10-17-7-6-12(15)9-17/h3-5,8,12H,2,6-7,9-10,15H2,1H3,(H,16,18).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide?
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.22, 4 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-(3-ethylphenyl)acetamide is sourced from PubChem (CID 62067698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).