3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C24H28N2O2 — CID 42366993

IUPAC3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H28N2O2/c27-22(25-21-12-6-10-19-9-4-5-11-20(19)21)13-15-24(16-14-23(28)26-24)17-18-7-2-1-3-8-18/h1-5,7-9,11,21H,6,10,12-17H2,(H,25,27)(H,26,28)/t21-,24+/m1/s1
InChIKeyDWSUXVJMTAIDLB-QPPBQGQZSA-N
MW376.50 g/mol
LogP3.85
Rot. Bonds6

About 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 42366993) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID42366993
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H28N2O2/c27-22(25-21-12-6-10-19-9-4-5-11-20(19)21)13-15-24(16-14-23(28)26-24)17-18-7-2-1-3-8-18/h1-5,7-9,11,21H,6,10,12-17H2,(H,25,27)(H,26,28)/t21-,24+/m1/s1
InChIKeyDWSUXVJMTAIDLB-QPPBQGQZSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42367001
3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42346776
N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45221734
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 126467480
N-(2,3-dihydro-1H-inden-2-yl)-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45241782
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2705330
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91772855
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 42366993) is 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is DWSUXVJMTAIDLB-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22(25-21-12-6-10-19-9-4-5-11-20(19)21)13-15-24(16-14-23(28)26-24)17-18-7-2-1-3-8-18/h1-5,7-9,11,21H,6,10,12-17H2,(H,25,27)(H,26,28)/t21-,24+/m1/s1.
What are the key properties of 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 42366993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).