N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide

C32H32N2O5Si — CID 18174557

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2N2C(=O)c3cc4ccccc4cc3C2=O)cc1
InChIInChI=1S/C32H32N2O5Si/c1-32(2,3)40(5,6)39-24-15-16-27(33-29(35)20-11-13-23(38-4)14-12-20)28(19-24)34-30(36)25-17-21-9-7-8-10-22(21)18-26(25)31(34)37/h7-19H,1-6H3,(H,33,35)
InChIKeyCLKABSZEZAPGJK-UHFFFAOYSA-N
MW552.70 g/mol
LogP7.29
Rot. Bonds6

About N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide

N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 18174557) has the molecular formula C32H32N2O5Si and a molecular weight of 552.70 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide
PubChem CID18174557
Molecular FormulaC32H32N2O5Si
Molecular Weight552.70 g/mol
Exact Mass552.21
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2N2C(=O)c3cc4ccccc4cc3C2=O)cc1
InChIInChI=1S/C32H32N2O5Si/c1-32(2,3)40(5,6)39-24-15-16-27(33-29(35)20-11-13-23(38-4)14-12-20)28(19-24)34-30(36)25-17-21-9-7-8-10-22(21)18-26(25)31(34)37/h7-19H,1-6H3,(H,33,35)
InChIKeyCLKABSZEZAPGJK-UHFFFAOYSA-N
XLogP7.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.70
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
4-methoxy-N-[2-methoxy-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678072
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1238748
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide (CID 18174557) is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2N2C(=O)c3cc4ccccc4cc3C2=O)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is CLKABSZEZAPGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O5Si/c1-32(2,3)40(5,6)39-24-15-16-27(33-29(35)20-11-13-23(38-4)14-12-20)28(19-24)34-30(36)25-17-21-9-7-8-10-22(21)18-26(25)31(34)37/h7-19H,1-6H3,(H,33,35).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide?
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 552.70 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 18174557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).