N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119806702

IUPACN-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(CC(C)NC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-6-12(2)8-14(7-11)9-13(3)18-16(19)15-10-17-4-5-20-15;/h6-8,13,15,17H,4-5,9-10H2,1-3H3,(H,18,19);1H
InChIKeyJMYAUUPODQAILR-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride

N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119806702) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119806702
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(CC(C)NC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-6-12(2)8-14(7-11)9-13(3)18-16(19)15-10-17-4-5-20-15;/h6-8,13,15,17H,4-5,9-10H2,1-3H3,(H,18,19);1H
InChIKeyJMYAUUPODQAILR-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935470
N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119748246
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119720999
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120795188
N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885
N-[(2R)-1-amino-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 130549246
(2R)-N-(1-cyclopropylethyl)morpholine-2-carboxamide
CID 131110683
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119806702) is N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride is Cc1cc(C)cc(CC(C)NC(=O)C2CNCCO2)c1.Cl.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is JMYAUUPODQAILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-6-12(2)8-14(7-11)9-13(3)18-16(19)15-10-17-4-5-20-15;/h6-8,13,15,17H,4-5,9-10H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119806702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).