(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride

C18H28ClN3O3 — CID 120924793

IUPAC(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c(C)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-11-8-12(2)16(13(3)9-11)20-15(22)10-21(5)18(23)17-14(4)24-7-6-19-17;/h8-9,14,17,19H,6-7,10H2,1-5H3,(H,20,22);1H/t14-,17+;/m1./s1
InChIKeyAZESTZRXXYXUNY-CVLQQERVSA-N
MW369.89 g/mol
LogP1.81
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120924793) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120924793
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c(C)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-11-8-12(2)16(13(3)9-11)20-15(22)10-21(5)18(23)17-14(4)24-7-6-19-17;/h8-9,14,17,19H,6-7,10H2,1-5H3,(H,20,22);1H/t14-,17+;/m1./s1
InChIKeyAZESTZRXXYXUNY-CVLQQERVSA-N
XLogP1.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918700
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120920116
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 120787755
(2R,3S)-N-(cyclobutylmethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930697

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride (CID 120924793) is (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c(C)c1.Cl.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is AZESTZRXXYXUNY-CVLQQERVSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-11-8-12(2)16(13(3)9-11)20-15(22)10-21(5)18(23)17-14(4)24-7-6-19-17;/h8-9,14,17,19H,6-7,10H2,1-5H3,(H,20,22);1H/t14-,17+;/m1./s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120924793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).