(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide

C15H22N2O3 — CID 120932523

IUPAC(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H22N2O3/c1-10-5-3-4-6-12(10)13(18)9-17-15(19)14-11(2)20-8-7-16-14/h3-6,11,13-14,16,18H,7-9H2,1-2H3,(H,17,19)/t11-,13?,14+/m1/s1
InChIKeyVBVBWTAWVWYCNV-VFXSIBAZSA-N
MW278.35 g/mol
LogP0.52
Rot. Bonds4

About (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120932523) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120932523
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H22N2O3/c1-10-5-3-4-6-12(10)13(18)9-17-15(19)14-11(2)20-8-7-16-14/h3-6,11,13-14,16,18H,7-9H2,1-2H3,(H,17,19)/t11-,13?,14+/m1/s1
InChIKeyVBVBWTAWVWYCNV-VFXSIBAZSA-N
XLogP0.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925276
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
CID 120928659
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937945
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120932523) is (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide is Cc1ccccc1C(O)CNC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is VBVBWTAWVWYCNV-VFXSIBAZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-5-3-4-6-12(10)13(18)9-17-15(19)14-11(2)20-8-7-16-14/h3-6,11,13-14,16,18H,7-9H2,1-2H3,(H,17,19)/t11-,13?,14+/m1/s1.
What are the key properties of (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120932523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).