2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide

C15H21N3O2 — CID 80556153

IUPAC2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
SMILESCC(C)(C(=O)NCC1CCC(=O)N1)c1ccc(N)cc1
InChIInChI=1S/C15H21N3O2/c1-15(2,10-3-5-11(16)6-4-10)14(20)17-9-12-7-8-13(19)18-12/h3-6,12H,7-9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIMZACGRVVUPNJO-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.94
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide

2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide (PubChem CID 80556153) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
PubChem CID80556153
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
SMILESCC(C)(C(=O)NCC1CCC(=O)N1)c1ccc(N)cc1
InChIInChI=1S/C15H21N3O2/c1-15(2,10-3-5-11(16)6-4-10)14(20)17-9-12-7-8-13(19)18-12/h3-6,12H,7-9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIMZACGRVVUPNJO-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Aminoglutethimide
CID 2145
3-(4-Aminophenyl)-1-(1-pyrrolidinyl)-1-propanone
CID 847784
3-(4'-Aminophenyl)-3-ethylpyrollidine-2,5-dione
CID 124662
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Prolinamide
CID 445368
3-(4-Aminophenyl)-3-methylpyrrolidine-2,5-dione
CID 13596072
2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10090773
3-(4'-Aminophenyl)pyrrolidine-2,5-dione
CID 161760
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(N-methylacetamido)phenyl]-3-oxopropan-2-aminium
CID 23647708
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(N-methylacetamido)phenyl]-1-oxobutan-2-aminium
CID 23647710

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide (CID 80556153) is 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide is CC(C)(C(=O)NCC1CCC(=O)N1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide?
The InChIKey is IMZACGRVVUPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,10-3-5-11(16)6-4-10)14(20)17-9-12-7-8-13(19)18-12/h3-6,12H,7-9,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 80556153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).