2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide

C22H24N2O4 — CID 27756862

IUPAC2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCc3ccccc3OC)cc2C1=O
InChIInChI=1S/C22H24N2O4/c1-3-4-13-24-21(26)17-10-9-16(14-18(17)22(24)27)20(25)23-12-11-15-7-5-6-8-19(15)28-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,25)
InChIKeyRHSXFSUTSLLICH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.06
Rot. Bonds8

About 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 27756862) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID27756862
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCc3ccccc3OC)cc2C1=O
InChIInChI=1S/C22H24N2O4/c1-3-4-13-24-21(26)17-10-9-16(14-18(17)22(24)27)20(25)23-12-11-15-7-5-6-8-19(15)28-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,25)
InChIKeyRHSXFSUTSLLICH-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26777955
2-butyl-1,3-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]isoindole-5-carboxamide
CID 27863996
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 27756862) is 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NCCc3ccccc3OC)cc2C1=O.
What is the InChIKey of 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RHSXFSUTSLLICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-4-13-24-21(26)17-10-9-16(14-18(17)22(24)27)20(25)23-12-11-15-7-5-6-8-19(15)28-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,25).
What are the key properties of 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 27756862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).