3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide

C20H28N2O3 — CID 95378082

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
SMILESO=C(CCN1CCCC1=O)NCCCO[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H28N2O3/c23-19(11-14-22-13-4-10-20(22)24)21-12-5-15-25-18-9-3-7-16-6-1-2-8-17(16)18/h1-2,6,8,18H,3-5,7,9-15H2,(H,21,23)/t18-/m0/s1
InChIKeyQYHQRKKJODPRTL-SFHVURJKSA-N
MW344.46 g/mol
LogP2.60
Rot. Bonds8

About 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide

3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide (PubChem CID 95378082) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
PubChem CID95378082
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
SMILESO=C(CCN1CCCC1=O)NCCCO[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H28N2O3/c23-19(11-14-22-13-4-10-20(22)24)21-12-5-15-25-18-9-3-7-16-6-1-2-8-17(16)18/h1-2,6,8,18H,3-5,7,9-15H2,(H,21,23)/t18-/m0/s1
InChIKeyQYHQRKKJODPRTL-SFHVURJKSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide (CID 95378082) is 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide is O=C(CCN1CCCC1=O)NCCCO[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
The InChIKey is QYHQRKKJODPRTL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(11-14-22-13-4-10-20(22)24)21-12-5-15-25-18-9-3-7-16-6-1-2-8-17(16)18/h1-2,6,8,18H,3-5,7,9-15H2,(H,21,23)/t18-/m0/s1.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide?
3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide is sourced from PubChem (CID 95378082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).