tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate

C17H26N2O3 — CID 124637607

IUPACtert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18(4)15-13-19(10-11-21-15)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-/m1/s1
InChIKeyWAEKDKQOFBMYSD-OAHLLOKOSA-N
MW306.41 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate

tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate (PubChem CID 124637607) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
PubChem CID124637607
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18(4)15-13-19(10-11-21-15)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-/m1/s1
InChIKeyWAEKDKQOFBMYSD-OAHLLOKOSA-N
XLogP2.71
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
CID 46175795
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 67330677
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl 4-benzyl-3-oxomorpholine-2-carboxylate
CID 15649498
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate (CID 124637607) is tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate?
The InChIKey is WAEKDKQOFBMYSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18(4)15-13-19(10-11-21-15)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate has a molecular weight of 306.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate is sourced from PubChem (CID 124637607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).