N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C24H31FN2O5 — CID 26277994

IUPACN-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2F)C1=O
InChIInChI=1S/C24H31FN2O5/c1-31-12-10-27-22(29)14-24(23(27)30,19-6-2-3-7-20(19)25)13-21(28)26(15-17-8-9-17)16-18-5-4-11-32-18/h2-3,6-7,17-18H,4-5,8-16H2,1H3/t18-,24+/m1/s1
InChIKeyCUOPKECDRITEHO-KOSHJBKYSA-N
MW446.52 g/mol
LogP2.28
Rot. Bonds10

About N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 26277994) has the molecular formula C24H31FN2O5 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID26277994
Molecular FormulaC24H31FN2O5
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2F)C1=O
InChIInChI=1S/C24H31FN2O5/c1-31-12-10-27-22(29)14-24(23(27)30,19-6-2-3-7-20(19)25)13-21(28)26(15-17-8-9-17)16-18-5-4-11-32-18/h2-3,6-7,17-18H,4-5,8-16H2,1H3/t18-,24+/m1/s1
InChIKeyCUOPKECDRITEHO-KOSHJBKYSA-N
XLogP2.28
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166765
2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42406114
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42319712
2-[(3S)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42368102
N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide
CID 45182402
2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide
CID 42192325
N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26349089
2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
CID 74780839
2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 42369054
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 42380137
N-(cyclobutylmethyl)-2-[(3R)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42213749
3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 126462173

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 26277994) is N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2F)C1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CUOPKECDRITEHO-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H31FN2O5/c1-31-12-10-27-22(29)14-24(23(27)30,19-6-2-3-7-20(19)25)13-21(28)26(15-17-8-9-17)16-18-5-4-11-32-18/h2-3,6-7,17-18H,4-5,8-16H2,1H3/t18-,24+/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 446.52 g/mol, XLogP of 2.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 26277994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).