ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate

C24H28N2O4 — CID 70493369

IUPACethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate
SMILESCCOC(=O)Nc1c(C)ccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O
InChIInChI=1S/C24H28N2O4/c1-7-30-24(29)25-20-15(6)11-12-18-19(20)23(28)26(22(18)27)21-16(13(2)3)9-8-10-17(21)14(4)5/h8-14H,7H2,1-6H3,(H,25,29)
InChIKeyRHLFNWIDHWPFBL-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.61
Rot. Bonds5

About ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate

ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate (PubChem CID 70493369) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate
PubChem CID70493369
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Nameethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate
SMILESCCOC(=O)Nc1c(C)ccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O
InChIInChI=1S/C24H28N2O4/c1-7-30-24(29)25-20-15(6)11-12-18-19(20)23(28)26(22(18)27)21-16(13(2)3)9-8-10-17(21)14(4)5/h8-14H,7H2,1-6H3,(H,25,29)
InChIKeyRHLFNWIDHWPFBL-UHFFFAOYSA-N
XLogP5.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate (CID 70493369) is ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate is CCOC(=O)Nc1c(C)ccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O.
What is the InChIKey of ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate?
The InChIKey is RHLFNWIDHWPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-7-30-24(29)25-20-15(6)11-12-18-19(20)23(28)26(22(18)27)21-16(13(2)3)9-8-10-17(21)14(4)5/h8-14H,7H2,1-6H3,(H,25,29).
What are the key properties of ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate?
ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate has a molecular weight of 408.50 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate is sourced from PubChem (CID 70493369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).