2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C24H25N3O5 — CID 35386053

IUPAC2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(N4CCCC4=O)c3)cc2C1=O
InChIInChI=1S/C24H25N3O5/c1-3-4-11-27-23(30)17-9-7-15(13-18(17)24(27)31)22(29)25-16-8-10-20(32-2)19(14-16)26-12-5-6-21(26)28/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,29)
InChIKeyPVANSWIXQMFBFO-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.47
Rot. Bonds7

About 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 35386053) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID35386053
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(N4CCCC4=O)c3)cc2C1=O
InChIInChI=1S/C24H25N3O5/c1-3-4-11-27-23(30)17-9-7-15(13-18(17)24(27)31)22(29)25-16-8-10-20(32-2)19(14-16)26-12-5-6-21(26)28/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,29)
InChIKeyPVANSWIXQMFBFO-UHFFFAOYSA-N
XLogP3.47
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35385832
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7687075
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 35386053) is 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(N4CCCC4=O)c3)cc2C1=O.
What is the InChIKey of 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PVANSWIXQMFBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-3-4-11-27-23(30)17-9-7-15(13-18(17)24(27)31)22(29)25-16-8-10-20(32-2)19(14-16)26-12-5-6-21(26)28/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,29).
What are the key properties of 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 35386053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).