(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate

C31H34N2O3Si — CID 10791831

IUPAC(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
SMILESCC(C)(C)[Si](OCc1cccc(NC(=O)OCc2cccc(N)c2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H34N2O3Si/c1-31(2,3)37(28-16-6-4-7-17-28,29-18-8-5-9-19-29)36-23-25-13-11-15-27(21-25)33-30(34)35-22-24-12-10-14-26(32)20-24/h4-21H,22-23,32H2,1-3H3,(H,33,34)
InChIKeyFHJCBPIJUFTINF-UHFFFAOYSA-N
MW510.71 g/mol
LogP6.09
Rot. Bonds8

About (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate

(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate (PubChem CID 10791831) has the molecular formula C31H34N2O3Si and a molecular weight of 510.71 g/mol. Its IUPAC name is (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Name(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
PubChem CID10791831
Molecular FormulaC31H34N2O3Si
Molecular Weight510.71 g/mol
Exact Mass510.23
IUPAC Name(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
SMILESCC(C)(C)[Si](OCc1cccc(NC(=O)OCc2cccc(N)c2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H34N2O3Si/c1-31(2,3)37(28-16-6-4-7-17-28,29-18-8-5-9-19-29)36-23-25-13-11-15-27(21-25)33-30(34)35-22-24-12-10-14-26(32)20-24/h4-21H,22-23,32H2,1-3H3,(H,33,34)
InChIKeyFHJCBPIJUFTINF-UHFFFAOYSA-N
XLogP6.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.71
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[1-benzyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-1-ium-4-yl]carbamate
CID 142425883
benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate
CID 68788391
[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid
CID 66896866
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
benzyl N-[3-(2-hydroxypropoxymethyl)phenyl]carbamate
CID 101435911
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxycarbonylbenzoic acid
CID 10766489

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate?
The IUPAC name of (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate (CID 10791831) is (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate.
What is the SMILES notation for (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate?
The canonical SMILES for (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate is CC(C)(C)[Si](OCc1cccc(NC(=O)OCc2cccc(N)c2)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate?
The InChIKey is FHJCBPIJUFTINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3Si/c1-31(2,3)37(28-16-6-4-7-17-28,29-18-8-5-9-19-29)36-23-25-13-11-15-27(21-25)33-30(34)35-22-24-12-10-14-26(32)20-24/h4-21H,22-23,32H2,1-3H3,(H,33,34).
What are the key properties of (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate?
(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate has a molecular weight of 510.71 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate is sourced from PubChem (CID 10791831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).