(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide

C18H22N2O3 — CID 120922049

IUPAC(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3/c1-12-17(19-8-9-23-12)18(22)20-11-16(21)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16-17,19,21H,8-9,11H2,1H3,(H,20,22)/t12-,16?,17+/m1/s1
InChIKeyLNXNUWIGXOXSSC-PWBPUHETSA-N
MW314.38 g/mol
LogP1.37
Rot. Bonds4

About (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120922049) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
PubChem CID120922049
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3/c1-12-17(19-8-9-23-12)18(22)20-11-16(21)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16-17,19,21H,8-9,11H2,1H3,(H,20,22)/t12-,16?,17+/m1/s1
InChIKeyLNXNUWIGXOXSSC-PWBPUHETSA-N
XLogP1.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925276
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938479
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
CID 120937874
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide (CID 120922049) is (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is LNXNUWIGXOXSSC-PWBPUHETSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-17(19-8-9-23-12)18(22)20-11-16(21)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16-17,19,21H,8-9,11H2,1H3,(H,20,22)/t12-,16?,17+/m1/s1.
What are the key properties of (2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.37, 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-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120922049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).