(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide

C15H22N2O3 — CID 120930614

IUPAC(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12-14(16-8-10-20-12)15(18)17-7-9-19-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyVSBZGALSMGFWNA-OCCSQVGLSA-N
MW278.35 g/mol
LogP0.70
Rot. Bonds6

About (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide (PubChem CID 120930614) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
PubChem CID120930614
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12-14(16-8-10-20-12)15(18)17-7-9-19-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyVSBZGALSMGFWNA-OCCSQVGLSA-N
XLogP0.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
CID 120925723
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-2-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 120924219
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide (CID 120930614) is (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCOCc1ccccc1.
What is the InChIKey of (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide?
The InChIKey is VSBZGALSMGFWNA-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-14(16-8-10-20-12)15(18)17-7-9-19-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)/t12-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide is sourced from PubChem (CID 120930614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).