[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

C25H24N2O5 — CID 32509787

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C25H24N2O5/c1-2-31-20-12-10-19(11-13-20)26-23(28)16-32-25(30)18-14-24(29)27(15-18)22-9-5-7-17-6-3-4-8-21(17)22/h3-13,18H,2,14-16H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeySIORWZOZSNGFEC-SFHVURJKSA-N
MW432.48 g/mol
LogP3.77
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (PubChem CID 32509787) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
PubChem CID32509787
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C25H24N2O5/c1-2-31-20-12-10-19(11-13-20)26-23(28)16-32-25(30)18-14-24(29)27(15-18)22-9-5-7-17-6-3-4-8-21(17)22/h3-13,18H,2,14-16H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeySIORWZOZSNGFEC-SFHVURJKSA-N
XLogP3.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1411502
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126152620
[2-(4-ethoxyanilino)-2-oxoethyl] 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6494155
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466582
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 124579995
[2-(4-ethoxyanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7729169
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466545
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(4-naphthalen-1-yloxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 124579900
[2-(2-ethylanilino)-2-oxoethyl] (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7282863
[2-(3-methylanilino)-2-oxoethyl] (3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9171387
[2-oxo-2-(4-phenoxyanilino)ethyl] (3R)-1-(4-naphthalen-1-yloxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 124580240
[2-(4-chloroanilino)-2-oxoethyl] (3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 126149703

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (CID 32509787) is [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SIORWZOZSNGFEC-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-2-31-20-12-10-19(11-13-20)26-23(28)16-32-25(30)18-14-24(29)27(15-18)22-9-5-7-17-6-3-4-8-21(17)22/h3-13,18H,2,14-16H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 32509787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).