3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide

C16H23N3O2 — CID 104502977

IUPAC3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
SMILESCC(CC(=O)NCC(=O)N1CCCC1)c1ccc(N)cc1
InChIInChI=1S/C16H23N3O2/c1-12(13-4-6-14(17)7-5-13)10-15(20)18-11-16(21)19-8-2-3-9-19/h4-7,12H,2-3,8-11,17H2,1H3,(H,18,20)
InChIKeyNASHJJQGFXZHGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.50
Rot. Bonds5

About 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide

3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 104502977) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
PubChem CID104502977
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
SMILESCC(CC(=O)NCC(=O)N1CCCC1)c1ccc(N)cc1
InChIInChI=1S/C16H23N3O2/c1-12(13-4-6-14(17)7-5-13)10-15(20)18-11-16(21)19-8-2-3-9-19/h4-7,12H,2-3,8-11,17H2,1H3,(H,18,20)
InChIKeyNASHJJQGFXZHGG-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.50
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

3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
3-(4-aminophenyl)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 104502086
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110312179
3-(4-aminophenyl)-1-(4-methylazepan-1-yl)butan-1-one
CID 104502625
3-(4-aminophenyl)-1-(4-hydroxy-4-methylazepan-1-yl)butan-1-one
CID 107404347
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 104502206
3-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 104502088
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 104502582
3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
CID 104502779

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide (CID 104502977) is 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide is CC(CC(=O)NCC(=O)N1CCCC1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is NASHJJQGFXZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(13-4-6-14(17)7-5-13)10-15(20)18-11-16(21)19-8-2-3-9-19/h4-7,12H,2-3,8-11,17H2,1H3,(H,18,20).
What are the key properties of 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide?
3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 289.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 104502977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).