[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

C19H24N2O5 — CID 55442410

IUPAC[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCC(NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)C1CC1
InChIInChI=1S/C19H24N2O5/c1-13(14-4-5-14)20-17(22)11-26-19(24)12-25-16-8-6-15(7-9-16)21-10-2-3-18(21)23/h6-9,13-14H,2-5,10-12H2,1H3,(H,20,22)
InChIKeyCDOKHBONDPXIJR-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.65
Rot. Bonds8

About [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (PubChem CID 55442410) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.

Molecular Properties

Compound Name[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
PubChem CID55442410
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCC(NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)C1CC1
InChIInChI=1S/C19H24N2O5/c1-13(14-4-5-14)20-17(22)11-26-19(24)12-25-16-8-6-15(7-9-16)21-10-2-3-18(21)23/h6-9,13-14H,2-5,10-12H2,1H3,(H,20,22)
InChIKeyCDOKHBONDPXIJR-UHFFFAOYSA-N
XLogP1.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate with MolForge

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Related Compounds

N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55444121
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 94015362
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446204
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The IUPAC name of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (CID 55442410) is [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.
What is the SMILES notation for [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The canonical SMILES for [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is CC(NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)C1CC1.
What is the InChIKey of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The InChIKey is CDOKHBONDPXIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(14-4-5-14)20-17(22)11-26-19(24)12-25-16-8-6-15(7-9-16)21-10-2-3-18(21)23/h6-9,13-14H,2-5,10-12H2,1H3,(H,20,22).
What are the key properties of [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate has a molecular weight of 360.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is sourced from PubChem (CID 55442410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).