1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C21H23N3O5 — CID 3152272

IUPAC1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)COc2ccc(N3CC(C(N)=O)CC3=O)cc2)cc1
InChIInChI=1S/C21H23N3O5/c1-2-28-17-7-3-15(4-8-17)23-19(25)13-29-18-9-5-16(6-10-18)24-12-14(21(22)27)11-20(24)26/h3-10,14H,2,11-13H2,1H3,(H2,22,27)(H,23,25)
InChIKeyHVRPEEQRCCIPJH-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.94
Rot. Bonds8

About 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3152272) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3152272
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)COc2ccc(N3CC(C(N)=O)CC3=O)cc2)cc1
InChIInChI=1S/C21H23N3O5/c1-2-28-17-7-3-15(4-8-17)23-19(25)13-29-18-9-5-16(6-10-18)24-12-14(21(22)27)11-20(24)26/h3-10,14H,2,11-13H2,1H3,(H2,22,27)(H,23,25)
InChIKeyHVRPEEQRCCIPJH-UHFFFAOYSA-N
XLogP1.94
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 3152272) is 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)COc2ccc(N3CC(C(N)=O)CC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HVRPEEQRCCIPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-2-28-17-7-3-15(4-8-17)23-19(25)13-29-18-9-5-16(6-10-18)24-12-14(21(22)27)11-20(24)26/h3-10,14H,2,11-13H2,1H3,(H2,22,27)(H,23,25).
What are the key properties of 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3152272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).