ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate

C24H30N2O5 — CID 41376222

IUPACethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C24H30N2O5/c1-4-31-24(28)17-26(18-9-6-5-7-10-18)23(27)16-25-14-8-11-21(25)20-13-12-19(29-2)15-22(20)30-3/h5-7,9-10,12-13,15,21H,4,8,11,14,16-17H2,1-3H3/t21-/m1/s1
InChIKeyLSSBTERXXPLLSF-OAQYLSRUSA-N
MW426.51 g/mol
LogP3.44
Rot. Bonds9

About ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate

ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate (PubChem CID 41376222) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
PubChem CID41376222
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Nameethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C24H30N2O5/c1-4-31-24(28)17-26(18-9-6-5-7-10-18)23(27)16-25-14-8-11-21(25)20-13-12-19(29-2)15-22(20)30-3/h5-7,9-10,12-13,15,21H,4,8,11,14,16-17H2,1-3H3/t21-/m1/s1
InChIKeyLSSBTERXXPLLSF-OAQYLSRUSA-N
XLogP3.44
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46613529
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 51671873
ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 47019495
ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
CID 47014049
ethyl (2S)-1-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 129419871
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
N'-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 8854676
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 27100799
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 98701473
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate (CID 41376222) is ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
The InChIKey is LSSBTERXXPLLSF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-4-31-24(28)17-26(18-9-6-5-7-10-18)23(27)16-25-14-8-11-21(25)20-13-12-19(29-2)15-22(20)30-3/h5-7,9-10,12-13,15,21H,4,8,11,14,16-17H2,1-3H3/t21-/m1/s1.
What are the key properties of ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate has a molecular weight of 426.51 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate is sourced from PubChem (CID 41376222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).