[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate

C31H42N2O5Si — CID 59065485

IUPAC[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1)(OCC)OCC
InChIInChI=1S/C31H42N2O5Si/c1-6-36-39(37-7-2,38-8-3)23-9-22-32-31(34)35-24-27-14-20-30(21-15-27)33(28-16-10-25(4)11-17-28)29-18-12-26(5)13-19-29/h10-21H,6-9,22-24H2,1-5H3,(H,32,34)
InChIKeyUOSYFGAJLYYDOE-UHFFFAOYSA-N
MW550.77 g/mol
LogP7.44
Rot. Bonds15

About [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate

[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 59065485) has the molecular formula C31H42N2O5Si and a molecular weight of 550.77 g/mol. Its IUPAC name is [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID59065485
Molecular FormulaC31H42N2O5Si
Molecular Weight550.77 g/mol
Exact Mass550.29
IUPAC Name[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1)(OCC)OCC
InChIInChI=1S/C31H42N2O5Si/c1-6-36-39(37-7-2,38-8-3)23-9-22-32-31(34)35-24-27-14-20-30(21-15-27)33(28-16-10-25(4)11-17-28)29-18-12-26(5)13-19-29/h10-21H,6-9,22-24H2,1-5H3,(H,32,34)
InChIKeyUOSYFGAJLYYDOE-UHFFFAOYSA-N
XLogP7.44
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.77
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 20771518
4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 141473259
N,N-dimethylaniline;4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 175092573
tert-butyl [4-(3-triethoxysilylpropylcarbamoyloxymethyl)phenyl] carbonate
CID 58871421
3-[3-(N-[3-[3-(3-triethoxysilylpropylcarbamoyloxy)propyl]phenyl]anilino)phenyl]propyl N-(3-triethoxysilylpropyl)carbamate
CID 21136797
[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
[5-(bromomethylidene)-2-oxothiophen-3-yl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 67296718
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate (CID 59065485) is [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1)(OCC)OCC.
What is the InChIKey of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is UOSYFGAJLYYDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O5Si/c1-6-36-39(37-7-2,38-8-3)23-9-22-32-31(34)35-24-27-14-20-30(21-15-27)33(28-16-10-25(4)11-17-28)29-18-12-26(5)13-19-29/h10-21H,6-9,22-24H2,1-5H3,(H,32,34).
What are the key properties of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 550.77 g/mol, XLogP of 7.44, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 59065485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).