(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

C17H26ClN3O3 — CID 120918817

IUPAC(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-4-13-7-5-6-8-14(13)19-15(21)11-20(3)17(22)16-12(2)23-10-9-18-16;/h5-8,12,16,18H,4,9-11H2,1-3H3,(H,19,21);1H/t12-,16+;/m1./s1
InChIKeyAZLWEEIIGHZMNB-KKJWGQAZSA-N
MW355.87 g/mol
LogP1.44
Rot. Bonds5

About (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918817) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918817
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-4-13-7-5-6-8-14(13)19-15(21)11-20(3)17(22)16-12(2)23-10-9-18-16;/h5-8,12,16,18H,4,9-11H2,1-3H3,(H,19,21);1H/t12-,16+;/m1./s1
InChIKeyAZLWEEIIGHZMNB-KKJWGQAZSA-N
XLogP1.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918700
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide
CID 120920338
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
CID 120928944
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (CID 120918817) is (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is AZLWEEIIGHZMNB-KKJWGQAZSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-4-13-7-5-6-8-14(13)19-15(21)11-20(3)17(22)16-12(2)23-10-9-18-16;/h5-8,12,16,18H,4,9-11H2,1-3H3,(H,19,21);1H/t12-,16+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).