(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate

C23H31NO7Si — CID 102284862

IUPAC(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)Oc1ccc(C(=O)c2ccccc2)cc1O)(OCC)OCC
InChIInChI=1S/C23H31NO7Si/c1-4-28-32(29-5-2,30-6-3)16-10-15-24-23(27)31-21-14-13-19(17-20(21)25)22(26)18-11-8-7-9-12-18/h7-9,11-14,17,25H,4-6,10,15-16H2,1-3H3,(H,24,27)
InChIKeyOWJXQIJQVNNFGJ-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.15
Rot. Bonds13

About (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate

(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate (PubChem CID 102284862) has the molecular formula C23H31NO7Si and a molecular weight of 461.59 g/mol. Its IUPAC name is (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate
PubChem CID102284862
Molecular FormulaC23H31NO7Si
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)Oc1ccc(C(=O)c2ccccc2)cc1O)(OCC)OCC
InChIInChI=1S/C23H31NO7Si/c1-4-28-32(29-5-2,30-6-3)16-10-15-24-23(27)31-21-14-13-19(17-20(21)25)22(26)18-11-8-7-9-12-18/h7-9,11-14,17,25H,4-6,10,15-16H2,1-3H3,(H,24,27)
InChIKeyOWJXQIJQVNNFGJ-UHFFFAOYSA-N
XLogP4.15
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 59228638
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 141473259
ethyl 3-[2-oxo-2-[2-(3-triethoxysilylpropylcarbamoyloxy)ethoxy]ethyl]benzoate
CID 58122245
(E)-3-[4-[3-(3-triethoxysilylpropylcarbamoyloxy)propoxy]naphthalen-1-yl]prop-2-enoic acid
CID 70128744
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
3-[3-(N-[3-[3-(3-triethoxysilylpropylcarbamoyloxy)propyl]phenyl]anilino)phenyl]propyl N-(3-triethoxysilylpropyl)carbamate
CID 21136797
N,N-dimethylaniline;4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 175092573
2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid
CID 102404606
[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 20771518
2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 101027056
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423

Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate (CID 102284862) is (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)Oc1ccc(C(=O)c2ccccc2)cc1O)(OCC)OCC.
What is the InChIKey of (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is OWJXQIJQVNNFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO7Si/c1-4-28-32(29-5-2,30-6-3)16-10-15-24-23(27)31-21-14-13-19(17-20(21)25)22(26)18-11-8-7-9-12-18/h7-9,11-14,17,25H,4-6,10,15-16H2,1-3H3,(H,24,27).
What are the key properties of (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate?
(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 461.59 g/mol, XLogP of 4.15, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 102284862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).