(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide

C19H24N2O2 — CID 120928944

IUPAC(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C19H24N2O2/c1-14-18(20-11-13-23-14)19(22)21(2)12-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18,20H,10-13H2,1-2H3/t14-,18+/m1/s1
InChIKeyNPQANAPJKBOUKR-KDOFPFPSSA-N
MW312.41 g/mol
LogP2.22
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide (PubChem CID 120928944) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
PubChem CID120928944
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C19H24N2O2/c1-14-18(20-11-13-23-14)19(22)21(2)12-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18,20H,10-13H2,1-2H3/t14-,18+/m1/s1
InChIKeyNPQANAPJKBOUKR-KDOFPFPSSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 124726613
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
(2R,3S)-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920159
(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918817
(2R,3S)-N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938281
(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920100
(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120920116
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide (CID 120928944) is (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)CCc1cccc2ccccc12.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide?
The InChIKey is NPQANAPJKBOUKR-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-18(20-11-13-23-14)19(22)21(2)12-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18,20H,10-13H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide is sourced from PubChem (CID 120928944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).