(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one

C24H30N2O3 — CID 42539619

IUPAC(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C[C@H](C)O1
InChIInChI=1S/C24H30N2O3/c1-17-15-26(16-18(2)29-17)23(28)10-12-24(11-9-22(27)25-24)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,25,27)/t17-,18+,24-/m0/s1
InChIKeyGZBWUTBETXCBAF-RHGYRFJNSA-N
MW394.52 g/mol
LogP3.45
Rot. Bonds5

About (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one

(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 42539619) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
PubChem CID42539619
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C[C@H](C)O1
InChIInChI=1S/C24H30N2O3/c1-17-15-26(16-18(2)29-17)23(28)10-12-24(11-9-22(27)25-24)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,25,27)/t17-,18+,24-/m0/s1
InChIKeyGZBWUTBETXCBAF-RHGYRFJNSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 126466483
(5S)-5-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42372930
5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 45176353
N-[(4R)-2,2-dimethyloxan-4-yl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42383086
methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
CID 26281257
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42434983
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42210774
(5S)-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 125176594
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42346776
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one (CID 42539619) is (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one is C[C@@H]1CN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C[C@H](C)O1.
What is the InChIKey of (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is GZBWUTBETXCBAF-RHGYRFJNSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-15-26(16-18(2)29-17)23(28)10-12-24(11-9-22(27)25-24)14-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,25,27)/t17-,18+,24-/m0/s1.
What are the key properties of (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 42539619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).