N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride

C13H19ClN2O2 — CID 119707893

IUPACN-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCc1cccc(N(C)C(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-4-3-5-11(8-10)15(2)13(16)12-9-14-6-7-17-12;/h3-5,8,12,14H,6-7,9H2,1-2H3;1H
InChIKeyJNMIAXFGKRDWKG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.37
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride

N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119707893) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119707893
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCc1cccc(N(C)C(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-4-3-5-11(8-10)15(2)13(16)12-9-14-6-7-17-12;/h3-5,8,12,14H,6-7,9H2,1-2H3;1H
InChIKeyJNMIAXFGKRDWKG-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
CID 115177440
N-methyl-N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119706070
N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
CID 115177410
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119792784
1-methyl-1-(3-morpholin-2-ylphenyl)urea
CID 117342534
N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
CID 126486008
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone
CID 119792785
N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82908415
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride (CID 119707893) is N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride is Cc1cccc(N(C)C(=O)C2CNCCO2)c1.Cl.
What is the InChIKey of N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is JNMIAXFGKRDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-10-4-3-5-11(8-10)15(2)13(16)12-9-14-6-7-17-12;/h3-5,8,12,14H,6-7,9H2,1-2H3;1H.
What are the key properties of N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride?
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119707893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).