2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate

C19H29NO5 — CID 12028342

IUPAC2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
SMILESCC(C)(C)OC(=O)OCCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO5/c1-18(2,3)24-16(21)20(14-15-10-8-7-9-11-15)12-13-23-17(22)25-19(4,5)6/h7-11H,12-14H2,1-6H3
InChIKeyNASUASQWJUPDMD-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.38
Rot. Bonds5

About 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate

2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate (PubChem CID 12028342) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate.

Molecular Properties

Compound Name2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
PubChem CID12028342
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
SMILESCC(C)(C)OC(=O)OCCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO5/c1-18(2,3)24-16(21)20(14-15-10-8-7-9-11-15)12-13-23-17(22)25-19(4,5)6/h7-11H,12-14H2,1-6H3
InChIKeyNASUASQWJUPDMD-UHFFFAOYSA-N
XLogP4.38
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
CID 22162806
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
CID 165471508
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-benzyl-N-(4-methyl-3-oxopent-4-enyl)carbamate
CID 165471507

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate?
The IUPAC name of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate (CID 12028342) is 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate.
What is the SMILES notation for 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate?
The canonical SMILES for 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate is CC(C)(C)OC(=O)OCCN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate?
The InChIKey is NASUASQWJUPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-18(2,3)24-16(21)20(14-15-10-8-7-9-11-15)12-13-23-17(22)25-19(4,5)6/h7-11H,12-14H2,1-6H3.
What are the key properties of 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate?
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate has a molecular weight of 351.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate is sourced from PubChem (CID 12028342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).