tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate

C17H28N2O3 — CID 156839816

IUPACtert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(CCO)Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)10-11-19(12-13-20)14-15-8-6-5-7-9-15/h5-9,20H,10-14H2,1-4H3
InChIKeyBWWQPONVOAAQQN-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.35
Rot. Bonds7

About tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate (PubChem CID 156839816) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
PubChem CID156839816
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(CCO)Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)10-11-19(12-13-20)14-15-8-6-5-7-9-15/h5-9,20H,10-14H2,1-4H3
InChIKeyBWWQPONVOAAQQN-UHFFFAOYSA-N
XLogP2.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 123482327
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
CID 139793857
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
tert-butyl N-benzyl-N-(methylamino)carbamate
CID 54080380

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate (CID 156839816) is tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate is CN(CCN(CCO)Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is BWWQPONVOAAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)18(4)10-11-19(12-13-20)14-15-8-6-5-7-9-15/h5-9,20H,10-14H2,1-4H3.
What are the key properties of tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 156839816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).