1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C21H23N3O5 — CID 46432230

IUPAC1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C21H23N3O5/c1-22-19(25)13-29-18-5-3-4-15(11-18)23-21(27)14-10-20(26)24(12-14)16-6-8-17(28-2)9-7-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyWLXLNFBHOYWYGW-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.81
Rot. Bonds7

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

1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46432230) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46432230
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C21H23N3O5/c1-22-19(25)13-29-18-5-3-4-15(11-18)23-21(27)14-10-20(26)24(12-14)16-6-8-17(28-2)9-7-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyWLXLNFBHOYWYGW-UHFFFAOYSA-N
XLogP1.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46460905
1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46440498
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55671788
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569025
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351791
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46432230) is 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is CNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)c1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WLXLNFBHOYWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-22-19(25)13-29-18-5-3-4-15(11-18)23-21(27)14-10-20(26)24(12-14)16-6-8-17(28-2)9-7-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).