(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate

C14H19ClN2O3 — CID 102635586

IUPAC(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC2CNCC(C)O2)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9-3-4-11(5-13(9)15)17-14(18)19-8-12-7-16-6-10(2)20-12/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyOVJKDORXNMCEBJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.57
Rot. Bonds3

About (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate

(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate (PubChem CID 102635586) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate.

Molecular Properties

Compound Name(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate
PubChem CID102635586
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCC2CNCC(C)O2)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9-3-4-11(5-13(9)15)17-14(18)19-8-12-7-16-6-10(2)20-12/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyOVJKDORXNMCEBJ-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate
CID 102635530
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
[(2S,4R,5R,6R)-4,5-bis[(3-chloro-4-methylphenyl)carbamoyloxy]-6-hydroxyoxan-2-yl]methyl N-(3-chloro-4-methylphenyl)carbamate
CID 139212217
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
CID 79337796
3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978
N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide
CID 102633567
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
(2-oxo-1,3-oxathiolan-5-yl)methyl N-[2-methyl-5-[(2-oxo-1,3-oxathiolan-5-yl)methoxycarbonylamino]phenyl]carbamate
CID 102406993
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl N-[2-methyl-5-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxycarbonylamino]phenyl]carbamate
CID 102213790

Frequently Asked Questions

What is the IUPAC name of (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate?
The IUPAC name of (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate (CID 102635586) is (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate.
What is the SMILES notation for (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate?
The canonical SMILES for (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCC2CNCC(C)O2)cc1Cl.
What is the InChIKey of (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate?
The InChIKey is OVJKDORXNMCEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9-3-4-11(5-13(9)15)17-14(18)19-8-12-7-16-6-10(2)20-12/h3-5,10,12,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of (6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate?
(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate has a molecular weight of 298.77 g/mol, XLogP of 2.57, 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-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 102635586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).