morpholin-2-ylmethyl N-benzylcarbamate

C13H18N2O3 — CID 107654723

IUPACmorpholin-2-ylmethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC1CNCCO1
InChIInChI=1S/C13H18N2O3/c16-13(15-8-11-4-2-1-3-5-11)18-10-12-9-14-6-7-17-12/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyGKLFHSXPEXFXGP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.90
Rot. Bonds4

About morpholin-2-ylmethyl N-benzylcarbamate

morpholin-2-ylmethyl N-benzylcarbamate (PubChem CID 107654723) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is morpholin-2-ylmethyl N-benzylcarbamate.

Molecular Properties

Compound Namemorpholin-2-ylmethyl N-benzylcarbamate
PubChem CID107654723
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemorpholin-2-ylmethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCC1CNCCO1
InChIInChI=1S/C13H18N2O3/c16-13(15-8-11-4-2-1-3-5-11)18-10-12-9-14-6-7-17-12/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyGKLFHSXPEXFXGP-UHFFFAOYSA-N
XLogP0.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl N-benzylcarbamate
CID 91035324
benzyl 2-morpholin-2-ylacetate
CID 66434624
morpholin-2-ylmethyl phenylmethanesulfonate
CID 175699328
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
(E)-but-2-enedioic acid;bis(2-(phenylmethoxymethoxymethyl)morpholine)
CID 6449225
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522

Frequently Asked Questions

What is the IUPAC name of morpholin-2-ylmethyl N-benzylcarbamate?
The IUPAC name of morpholin-2-ylmethyl N-benzylcarbamate (CID 107654723) is morpholin-2-ylmethyl N-benzylcarbamate.
What is the SMILES notation for morpholin-2-ylmethyl N-benzylcarbamate?
The canonical SMILES for morpholin-2-ylmethyl N-benzylcarbamate is O=C(NCc1ccccc1)OCC1CNCCO1.
What is the InChIKey of morpholin-2-ylmethyl N-benzylcarbamate?
The InChIKey is GKLFHSXPEXFXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(15-8-11-4-2-1-3-5-11)18-10-12-9-14-6-7-17-12/h1-5,12,14H,6-10H2,(H,15,16).
What are the key properties of morpholin-2-ylmethyl N-benzylcarbamate?
morpholin-2-ylmethyl N-benzylcarbamate has a molecular weight of 250.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethyl N-benzylcarbamate is sourced from PubChem (CID 107654723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).