3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide

C16H23N3O2 — CID 80695549

IUPAC3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
SMILESCC(CN1CCCC1=O)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H23N3O2/c1-12(11-19-9-3-6-16(19)21)18-15(20)8-7-13-4-2-5-14(17)10-13/h2,4-5,10,12H,3,6-9,11,17H2,1H3,(H,18,20)
InChIKeyRMDSDLJRIYPJQS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.33
Rot. Bonds6

About 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide

3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide (PubChem CID 80695549) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
PubChem CID80695549
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
SMILESCC(CN1CCCC1=O)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H23N3O2/c1-12(11-19-9-3-6-16(19)21)18-15(20)8-7-13-4-2-5-14(17)10-13/h2,4-5,10,12H,3,6-9,11,17H2,1H3,(H,18,20)
InChIKeyRMDSDLJRIYPJQS-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.33
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

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2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
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4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide (CID 80695549) is 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide is CC(CN1CCCC1=O)NC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide?
The InChIKey is RMDSDLJRIYPJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(11-19-9-3-6-16(19)21)18-15(20)8-7-13-4-2-5-14(17)10-13/h2,4-5,10,12H,3,6-9,11,17H2,1H3,(H,18,20).
What are the key properties of 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide?
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 80695549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).