[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid

C24H28N2O4 — CID 69020716

IUPAC[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid
SMILESCC(C)(C)C(CN1C(=O)c2ccccc2C1=O)(NC(=O)O)C(C)(C)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-22(2,3)24(25-21(29)30,23(4,5)16-11-7-6-8-12-16)15-26-19(27)17-13-9-10-14-18(17)20(26)28/h6-14,25H,15H2,1-5H3,(H,29,30)
InChIKeyKMLLCPCFQBVNIP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.31
Rot. Bonds5

About [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid

[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid (PubChem CID 69020716) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid
PubChem CID69020716
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid
SMILESCC(C)(C)C(CN1C(=O)c2ccccc2C1=O)(NC(=O)O)C(C)(C)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-22(2,3)24(25-21(29)30,23(4,5)16-11-7-6-8-12-16)15-26-19(27)17-13-9-10-14-18(17)20(26)28/h6-14,25H,15H2,1-5H3,(H,29,30)
InChIKeyKMLLCPCFQBVNIP-UHFFFAOYSA-N
XLogP4.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoic acid
CID 834726
[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-yl]carbamic acid
CID 69020733
2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione
CID 87759453
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
ethyl (2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoate
CID 830896
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
CID 7984738
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
CID 12678095
methyl (E)-2-bromo-6-(1,3-dioxoisoindol-2-yl)-5,5-dimethylhex-2-enoate
CID 89368240
CID 88904526
CID 88904526
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956

Frequently Asked Questions

What is the IUPAC name of [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid?
The IUPAC name of [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid (CID 69020716) is [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid.
What is the SMILES notation for [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid?
The canonical SMILES for [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid is CC(C)(C)C(CN1C(=O)c2ccccc2C1=O)(NC(=O)O)C(C)(C)c1ccccc1.
What is the InChIKey of [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid?
The InChIKey is KMLLCPCFQBVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-22(2,3)24(25-21(29)30,23(4,5)16-11-7-6-8-12-16)15-26-19(27)17-13-9-10-14-18(17)20(26)28/h6-14,25H,15H2,1-5H3,(H,29,30).
What are the key properties of [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid?
[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid has a molecular weight of 408.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid is sourced from PubChem (CID 69020716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).