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

C12H17ClN2O2 — CID 119670415

IUPACN-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2COCCN2)c1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-9-3-2-4-10(7-9)14-12(15)11-8-16-6-5-13-11;/h2-4,7,11,13H,5-6,8H2,1H3,(H,14,15);1H
InChIKeyNLNWIAKCHBRZIY-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.34
Rot. Bonds2

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

N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119670415) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
PubChem CID119670415
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2COCCN2)c1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-9-3-2-4-10(7-9)14-12(15)11-8-16-6-5-13-11;/h2-4,7,11,13H,5-6,8H2,1H3,(H,14,15);1H
InChIKeyNLNWIAKCHBRZIY-UHFFFAOYSA-N
XLogP1.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
CID 79049402
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119688772

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride (CID 119670415) is N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride is Cc1cccc(NC(=O)C2COCCN2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is NLNWIAKCHBRZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-9-3-2-4-10(7-9)14-12(15)11-8-16-6-5-13-11;/h2-4,7,11,13H,5-6,8H2,1H3,(H,14,15);1H.
What are the key properties of N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride?
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).