(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C17H22ClN3O4 — CID 120932574

IUPAC(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1N1C(=O)CCC1=O.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-10-9-12(19-17(23)16-11(2)24-8-7-18-16)3-4-13(10)20-14(21)5-6-15(20)22;/h3-4,9,11,16,18H,5-8H2,1-2H3,(H,19,23);1H/t11-,16+;/m1./s1
InChIKeyLHJXZNJZRVGQDQ-VAGBGMFXSA-N
MW367.83 g/mol
LogP1.39
Rot. Bonds3

About (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120932574) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120932574
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1N1C(=O)CCC1=O.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-10-9-12(19-17(23)16-11(2)24-8-7-18-16)3-4-13(10)20-14(21)5-6-15(20)22;/h3-4,9,11,16,18H,5-8H2,1-2H3,(H,19,23);1H/t11-,16+;/m1./s1
InChIKeyLHJXZNJZRVGQDQ-VAGBGMFXSA-N
XLogP1.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 120942024
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
CID 120924428
(2R,3S)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930079
(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 120938679
(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922520
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120932574) is (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)ccc1N1C(=O)CCC1=O.Cl.
What is the InChIKey of (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is LHJXZNJZRVGQDQ-VAGBGMFXSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c1-10-9-12(19-17(23)16-11(2)24-8-7-18-16)3-4-13(10)20-14(21)5-6-15(20)22;/h3-4,9,11,16,18H,5-8H2,1-2H3,(H,19,23);1H/t11-,16+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120932574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).