(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120934935

IUPAC(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1OC(C)C.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10(2)21-14-6-5-13(9-11(14)3)18-16(19)15-12(4)20-8-7-17-15;/h5-6,9-10,12,15,17H,7-8H2,1-4H3,(H,18,19);1H/t12-,15+;/m1./s1
InChIKeyRBYLWMRMZZKWHN-YLCXCWDSSA-N
MW328.84 g/mol
LogP2.52
Rot. Bonds4

About (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120934935) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
PubChem CID120934935
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1OC(C)C.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10(2)21-14-6-5-13(9-11(14)3)18-16(19)15-12(4)20-8-7-17-15;/h5-6,9-10,12,15,17H,7-8H2,1-4H3,(H,18,19);1H/t12-,15+;/m1./s1
InChIKeyRBYLWMRMZZKWHN-YLCXCWDSSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 120942024
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932574
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride (CID 120934935) is (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride is Cc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1OC(C)C.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is RBYLWMRMZZKWHN-YLCXCWDSSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-10(2)21-14-6-5-13(9-11(14)3)18-16(19)15-12(4)20-8-7-17-15;/h5-6,9-10,12,15,17H,7-8H2,1-4H3,(H,18,19);1H/t12-,15+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120934935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).