tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate

C17H34N2O5 — CID 99793214

IUPACtert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
SMILESCCOC[C@H](NC(=O)CN(CCOC)C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O5/c1-8-23-12-14(13(2)3)18-15(20)11-19(9-10-22-7)16(21)24-17(4,5)6/h13-14H,8-12H2,1-7H3,(H,18,20)/t14-/m0/s1
InChIKeyYARHVZQNVSROSC-AWEZNQCLSA-N
MW346.47 g/mol
LogP2.05
Rot. Bonds10

About tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 99793214) has the molecular formula C17H34N2O5 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
PubChem CID99793214
Molecular FormulaC17H34N2O5
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC Nametert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
SMILESCCOC[C@H](NC(=O)CN(CCOC)C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O5/c1-8-23-12-14(13(2)3)18-15(20)11-19(9-10-22-7)16(21)24-17(4,5)6/h13-14H,8-12H2,1-7H3,(H,18,20)/t14-/m0/s1
InChIKeyYARHVZQNVSROSC-AWEZNQCLSA-N
XLogP2.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate (CID 99793214) is tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate is CCOC[C@H](NC(=O)CN(CCOC)C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is YARHVZQNVSROSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H34N2O5/c1-8-23-12-14(13(2)3)18-15(20)11-19(9-10-22-7)16(21)24-17(4,5)6/h13-14H,8-12H2,1-7H3,(H,18,20)/t14-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 346.47 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 99793214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).