[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate

C15H21NO5 — CID 102250598

IUPAC[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)OC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)20-13(18)16(9-10-17)11-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3
InChIKeyISKSSOHVPKVHON-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.55
Rot. Bonds4

About [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate

[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate (PubChem CID 102250598) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate.

Molecular Properties

Compound Name[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
PubChem CID102250598
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)OC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)20-13(18)16(9-10-17)11-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3
InChIKeyISKSSOHVPKVHON-UHFFFAOYSA-N
XLogP2.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-[6-(5-hydroxypentylamino)hexyl]carbamate
CID 22006341
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
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-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 156839816
tert-butyl N-(3-hydroxypropyl)-N-[(4-phenoxyphenyl)methyl]carbamate
CID 167461963

Frequently Asked Questions

What is the IUPAC name of [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate?
The IUPAC name of [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate (CID 102250598) is [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate.
What is the SMILES notation for [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate?
The canonical SMILES for [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate is CC(C)(C)OC(=O)OC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate?
The InChIKey is ISKSSOHVPKVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)20-13(18)16(9-10-17)11-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3.
What are the key properties of [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate?
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate has a molecular weight of 295.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate is sourced from PubChem (CID 102250598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).