1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C21H23N3O4 — CID 6493091

IUPAC1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1
InChIInChI=1S/C21H23N3O4/c1-22-21(27)16-11-20(26)24(13-16)17-7-9-18(10-8-17)28-14-19(25)23-12-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,22,27)(H,23,25)
InChIKeyZHORYUTZAIYXOF-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.48
Rot. Bonds7

About 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 6493091) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID6493091
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1
InChIInChI=1S/C21H23N3O4/c1-22-21(27)16-11-20(26)24(13-16)17-7-9-18(10-8-17)28-14-19(25)23-12-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,22,27)(H,23,25)
InChIKeyZHORYUTZAIYXOF-UHFFFAOYSA-N
XLogP1.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 6493091) is 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1.
What is the InChIKey of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHORYUTZAIYXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-22-21(27)16-11-20(26)24(13-16)17-7-9-18(10-8-17)28-14-19(25)23-12-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6493091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).