(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide

C20H24N2O3 — CID 120922641

IUPAC(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-19(21-11-12-24-15)20(23)22-13-16-7-9-18(10-8-16)25-14-17-5-3-2-4-6-17/h2-10,15,19,21H,11-14H2,1H3,(H,22,23)/t15-,19+/m1/s1
InChIKeyLPICRZANVICDCV-BEFAXECRSA-N
MW340.42 g/mol
LogP2.26
Rot. Bonds6

About (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide (PubChem CID 120922641) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
PubChem CID120922641
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-19(21-11-12-24-15)20(23)22-13-16-7-9-18(10-8-16)25-14-17-5-3-2-4-6-17/h2-10,15,19,21H,11-14H2,1H3,(H,22,23)/t15-,19+/m1/s1
InChIKeyLPICRZANVICDCV-BEFAXECRSA-N
XLogP2.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922648
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931537
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120935119
(2R,3S)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120938886
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide (CID 120922641) is (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is LPICRZANVICDCV-BEFAXECRSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-19(21-11-12-24-15)20(23)22-13-16-7-9-18(10-8-16)25-14-17-5-3-2-4-6-17/h2-10,15,19,21H,11-14H2,1H3,(H,22,23)/t15-,19+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.26, 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-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120922641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).