tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate

C27H40N2O7Si — CID 154202763

IUPACtert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1oc(C(C)(C)O[SiH2]C(C)(C)C)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C27H40N2O7Si/c1-25(2,3)35-24(32)29-15-14-28-23(31)22-21(33-17-18-12-10-9-11-13-18)19(30)16-20(34-22)27(7,8)36-37-26(4,5)6/h9-13,16H,14-15,17,37H2,1-8H3,(H,28,31)(H,29,32)
InChIKeyVEPQCUUXSITBHA-UHFFFAOYSA-N
MW532.71 g/mol
LogP4.03
Rot. Bonds10

About tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate (PubChem CID 154202763) has the molecular formula C27H40N2O7Si and a molecular weight of 532.71 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate
PubChem CID154202763
Molecular FormulaC27H40N2O7Si
Molecular Weight532.71 g/mol
Exact Mass532.26
IUPAC Nametert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1oc(C(C)(C)O[SiH2]C(C)(C)C)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C27H40N2O7Si/c1-25(2,3)35-24(32)29-15-14-28-23(31)22-21(33-17-18-12-10-9-11-13-18)19(30)16-20(34-22)27(7,8)36-37-26(4,5)6/h9-13,16H,14-15,17,37H2,1-8H3,(H,28,31)(H,29,32)
InChIKeyVEPQCUUXSITBHA-UHFFFAOYSA-N
XLogP4.03
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.71
LogP ≤ 54.03
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

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CID 87714235
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
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6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540
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CID 140765220
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
dibenzyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]butanedioate
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tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-benzyl-N-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]phenyl]methoxy]carbamate
CID 46184080
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate (CID 154202763) is tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1oc(C(C)(C)O[SiH2]C(C)(C)C)cc(=O)c1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate?
The InChIKey is VEPQCUUXSITBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O7Si/c1-25(2,3)35-24(32)29-15-14-28-23(31)22-21(33-17-18-12-10-9-11-13-18)19(30)16-20(34-22)27(7,8)36-37-26(4,5)6/h9-13,16H,14-15,17,37H2,1-8H3,(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate has a molecular weight of 532.71 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-(2-tert-butylsilyloxypropan-2-yl)-4-oxo-3-phenylmethoxypyran-2-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 154202763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).