N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide

C15H23N3O — CID 54882930

IUPACN-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCCN1CC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H23N3O/c1-3-13-5-4-8-18(13)10-15(19)17-14-7-6-12(16)9-11(14)2/h6-7,9,13H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeySBEOHWBNNVLHOK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.39
Rot. Bonds4

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

N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide (PubChem CID 54882930) 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-ethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
PubChem CID54882930
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCCN1CC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H23N3O/c1-3-13-5-4-8-18(13)10-15(19)17-14-7-6-12(16)9-11(14)2/h6-7,9,13H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeySBEOHWBNNVLHOK-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119926906
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026228
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide (CID 54882930) is N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide is CCC1CCCN1CC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
The InChIKey is SBEOHWBNNVLHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-13-5-4-8-18(13)10-15(19)17-14-7-6-12(16)9-11(14)2/h6-7,9,13H,3-5,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.39, 4 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-ethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 54882930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).