[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate

C17H25N3O5 — CID 142022844

IUPAC[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccccc1COC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O5/c1-18-16(21)24-12-14-4-2-3-5-15(14)13-25-17(22)19-6-7-20-8-10-23-11-9-20/h2-5H,6-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyVBHLXGAXAHGXTG-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.10
Rot. Bonds7

About [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate

[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate (PubChem CID 142022844) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
PubChem CID142022844
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccccc1COC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O5/c1-18-16(21)24-12-14-4-2-3-5-15(14)13-25-17(22)19-6-7-20-8-10-23-11-9-20/h2-5H,6-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyVBHLXGAXAHGXTG-UHFFFAOYSA-N
XLogP1.10
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate
CID 171843524
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
(2R)-2-(2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 93488370
(2R)-2-[2-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide;hydrochloride
CID 121452297
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550

Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate?
The IUPAC name of [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate (CID 142022844) is [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate?
The canonical SMILES for [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate is CNC(=O)OCc1ccccc1COC(=O)NCCN1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate?
The InChIKey is VBHLXGAXAHGXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-18-16(21)24-12-14-4-2-3-5-15(14)13-25-17(22)19-6-7-20-8-10-23-11-9-20/h2-5H,6-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate?
[2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate has a molecular weight of 351.40 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylethylcarbamoyloxymethyl)phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 142022844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).