benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate

C25H36N2O4Si — CID 149150728

IUPACbenzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate
SMILESCC(CC(C)(O[SiH3])C(C)(C)C)c1ccccc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C25H36N2O4Si/c1-18(15-25(5,31-32)24(2,3)4)20-13-9-10-14-21(20)27-22(28)16-26-23(29)30-17-19-11-7-6-8-12-19/h6-14,18H,15-17H2,1-5,32H3,(H,26,29)(H,27,28)
InChIKeyCQSIIRDTAVDWBP-UHFFFAOYSA-N
MW456.66 g/mol
LogP4.15
Rot. Bonds9

About benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate

benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate (PubChem CID 149150728) has the molecular formula C25H36N2O4Si and a molecular weight of 456.66 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate
PubChem CID149150728
Molecular FormulaC25H36N2O4Si
Molecular Weight456.66 g/mol
Exact Mass456.24
IUPAC Namebenzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate
SMILESCC(CC(C)(O[SiH3])C(C)(C)C)c1ccccc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C25H36N2O4Si/c1-18(15-25(5,31-32)24(2,3)4)20-13-9-10-14-21(20)27-22(28)16-26-23(29)30-17-19-11-7-6-8-12-19/h6-14,18H,15-17H2,1-5,32H3,(H,26,29)(H,27,28)
InChIKeyCQSIIRDTAVDWBP-UHFFFAOYSA-N
XLogP4.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.66
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 70269487
CID 70269487
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
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benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
CID 60595823
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
tert-butyl (2R)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 66843039
benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
CID 60596320
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 5479014
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-(5,5-dimethyl-2-oxohexyl)carbamate
CID 165468544
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate (CID 149150728) is benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate is CC(CC(C)(O[SiH3])C(C)(C)C)c1ccccc1NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate?
The InChIKey is CQSIIRDTAVDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4Si/c1-18(15-25(5,31-32)24(2,3)4)20-13-9-10-14-21(20)27-22(28)16-26-23(29)30-17-19-11-7-6-8-12-19/h6-14,18H,15-17H2,1-5,32H3,(H,26,29)(H,27,28).
What are the key properties of benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate?
benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate has a molecular weight of 456.66 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate is sourced from PubChem (CID 149150728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).