(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate

C13H17ClN2O3 — CID 102635530

IUPAC(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate
SMILESCC1CNCC(COC(=O)Nc2cccc(Cl)c2)O1
InChIInChI=1S/C13H17ClN2O3/c1-9-6-15-7-12(19-9)8-18-13(17)16-11-4-2-3-10(14)5-11/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyRIWFGOZSRMYZNS-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.27
Rot. Bonds3

About (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate

(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate (PubChem CID 102635530) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate
PubChem CID102635530
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate
SMILESCC1CNCC(COC(=O)Nc2cccc(Cl)c2)O1
InChIInChI=1S/C13H17ClN2O3/c1-9-6-15-7-12(19-9)8-18-13(17)16-11-4-2-3-10(14)5-11/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyRIWFGOZSRMYZNS-UHFFFAOYSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate
CID 102635586
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
methyl N-(3-chlorophenyl)carbamate
CID 16529
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
N-(3-chlorophenyl)-2-[(6,6-dimethylmorpholin-2-yl)methoxy]acetamide
CID 114775297
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride
CID 67239771
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107

Frequently Asked Questions

What is the IUPAC name of (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate?
The IUPAC name of (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate (CID 102635530) is (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate is CC1CNCC(COC(=O)Nc2cccc(Cl)c2)O1.
What is the InChIKey of (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate?
The InChIKey is RIWFGOZSRMYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9-6-15-7-12(19-9)8-18-13(17)16-11-4-2-3-10(14)5-11/h2-5,9,12,15H,6-8H2,1H3,(H,16,17).
What are the key properties of (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate?
(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate has a molecular weight of 284.74 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 102635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).