(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H21ClF2N2O4 — CID 120936748

IUPAC(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl
InChIInChI=1S/C15H20F2N2O4.ClH/c1-9-13(18-5-6-22-9)14(20)19-8-10-7-11(21-2)3-4-12(10)23-15(16)17;/h3-4,7,9,13,15,18H,5-6,8H2,1-2H3,(H,19,20);1H/t9-,13+;/m1./s1
InChIKeyUCXZZXXGTYYWCB-XVUIFDSFSA-N
MW366.79 g/mol
LogP1.71
Rot. Bonds6

About (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120936748) has the molecular formula C15H21ClF2N2O4 and a molecular weight of 366.79 g/mol. Its IUPAC name is (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120936748
Molecular FormulaC15H21ClF2N2O4
Molecular Weight366.79 g/mol
Exact Mass366.12
IUPAC Name(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl
InChIInChI=1S/C15H20F2N2O4.ClH/c1-9-13(18-5-6-22-9)14(20)19-8-10-7-11(21-2)3-4-12(10)23-15(16)17;/h3-4,7,9,13,15,18H,5-6,8H2,1-2H3,(H,19,20);1H/t9-,13+;/m1./s1
InChIKeyUCXZZXXGTYYWCB-XVUIFDSFSA-N
XLogP1.71
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926162
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
CID 119816344
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120936748) is (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is COc1ccc(OC(F)F)c(CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl.
What is the InChIKey of (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is UCXZZXXGTYYWCB-XVUIFDSFSA-N. The full InChI is InChI=1S/C15H20F2N2O4.ClH/c1-9-13(18-5-6-22-9)14(20)19-8-10-7-11(21-2)3-4-12(10)23-15(16)17;/h3-4,7,9,13,15,18H,5-6,8H2,1-2H3,(H,19,20);1H/t9-,13+;/m1./s1.
What are the key properties of (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 366.79 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120936748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).