(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C18H27Cl2N3O4 — CID 120923488

IUPAC(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1Cl.Cl
InChIInChI=1S/C18H26ClN3O4.ClH/c1-4-22(5-2)16(23)11-26-15-7-6-13(10-14(15)19)21-18(24)17-12(3)25-9-8-20-17;/h6-7,10,12,17,20H,4-5,8-9,11H2,1-3H3,(H,21,24);1H/t12-,17+;/m1./s1
InChIKeySURWMEBAYYUVAI-KELGLJHESA-N
MW420.34 g/mol
LogP2.32
Rot. Bonds7

About (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120923488) has the molecular formula C18H27Cl2N3O4 and a molecular weight of 420.34 g/mol. Its IUPAC name is (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120923488
Molecular FormulaC18H27Cl2N3O4
Molecular Weight420.34 g/mol
Exact Mass419.14
IUPAC Name(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1Cl.Cl
InChIInChI=1S/C18H26ClN3O4.ClH/c1-4-22(5-2)16(23)11-26-15-7-6-13(10-14(15)19)21-18(24)17-12(3)25-9-8-20-17;/h6-7,10,12,17,20H,4-5,8-9,11H2,1-3H3,(H,21,24);1H/t12-,17+;/m1./s1
InChIKeySURWMEBAYYUVAI-KELGLJHESA-N
XLogP2.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120922885
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 47028925
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
(2R,3S)-N-[6-(diethylamino)-3-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938917
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926431
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120923488) is (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCN(CC)C(=O)COc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1Cl.Cl.
What is the InChIKey of (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is SURWMEBAYYUVAI-KELGLJHESA-N. The full InChI is InChI=1S/C18H26ClN3O4.ClH/c1-4-22(5-2)16(23)11-26-15-7-6-13(10-14(15)19)21-18(24)17-12(3)25-9-8-20-17;/h6-7,10,12,17,20H,4-5,8-9,11H2,1-3H3,(H,21,24);1H/t12-,17+;/m1./s1.
What are the key properties of (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 420.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120923488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).