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

C29H38N2O5Si — CID 20771518

IUPAC[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCc1ccc(N(c2ccccc2)c2ccccc2)cc1)(OCC)OCC
InChIInChI=1S/C29H38N2O5Si/c1-4-34-37(35-5-2,36-6-3)23-13-22-30-29(32)33-24-25-18-20-28(21-19-25)31(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-21H,4-6,13,22-24H2,1-3H3,(H,30,32)
InChIKeyMAGHNRRGOMUJQQ-UHFFFAOYSA-N
MW522.72 g/mol
LogP6.82
Rot. Bonds15

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

[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 20771518) has the molecular formula C29H38N2O5Si and a molecular weight of 522.72 g/mol. Its IUPAC name is [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID20771518
Molecular FormulaC29H38N2O5Si
Molecular Weight522.72 g/mol
Exact Mass522.25
IUPAC Name[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCc1ccc(N(c2ccccc2)c2ccccc2)cc1)(OCC)OCC
InChIInChI=1S/C29H38N2O5Si/c1-4-34-37(35-5-2,36-6-3)23-13-22-30-29(32)33-24-25-18-20-28(21-19-25)31(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-21H,4-6,13,22-24H2,1-3H3,(H,30,32)
InChIKeyMAGHNRRGOMUJQQ-UHFFFAOYSA-N
XLogP6.82
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 56.82
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-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 59065485
N,N-dimethylaniline;4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 175092573
4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 141473259
3-[3-(N-[3-[3-(3-triethoxysilylpropylcarbamoyloxy)propyl]phenyl]anilino)phenyl]propyl N-(3-triethoxysilylpropyl)carbamate
CID 21136797
tert-butyl [4-(3-triethoxysilylpropylcarbamoyloxymethyl)phenyl] carbonate
CID 58871421
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
dibenzyl (2S,4R)-4-(3-triethoxysilylpropylcarbamoyloxy)pyrrolidine-1,2-dicarboxylate
CID 23727642
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
ethyl 2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoate
CID 21392364

Frequently Asked Questions

What is the IUPAC name of [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate (CID 20771518) is [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCc1ccc(N(c2ccccc2)c2ccccc2)cc1)(OCC)OCC.
What is the InChIKey of [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is MAGHNRRGOMUJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O5Si/c1-4-34-37(35-5-2,36-6-3)23-13-22-30-29(32)33-24-25-18-20-28(21-19-25)31(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-21H,4-6,13,22-24H2,1-3H3,(H,30,32).
What are the key properties of [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate?
[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 522.72 g/mol, XLogP of 6.82, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 20771518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).