(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide

C21H26N2O3 — CID 98786628

IUPAC(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESC[C@H](Cc1ccc(O)cc1)NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1
InChIInChI=1S/C21H26N2O3/c1-15(12-17-8-10-19(24)11-9-17)22-21(25)23-13-16(2)26-20(14-23)18-6-4-3-5-7-18/h3-11,15-16,20,24H,12-14H2,1-2H3,(H,22,25)/t15-,16-,20+/m1/s1
InChIKeyUJPGXOXGIPHBLO-QINHECLXSA-N
MW354.45 g/mol
LogP3.49
Rot. Bonds4

About (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide

(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide (PubChem CID 98786628) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
PubChem CID98786628
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESC[C@H](Cc1ccc(O)cc1)NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1
InChIInChI=1S/C21H26N2O3/c1-15(12-17-8-10-19(24)11-9-17)22-21(25)23-13-16(2)26-20(14-23)18-6-4-3-5-7-18/h3-11,15-16,20,24H,12-14H2,1-2H3,(H,22,25)/t15-,16-,20+/m1/s1
InChIKeyUJPGXOXGIPHBLO-QINHECLXSA-N
XLogP3.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide (CID 98786628) is (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide is C[C@H](Cc1ccc(O)cc1)NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1.
What is the InChIKey of (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The InChIKey is UJPGXOXGIPHBLO-QINHECLXSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(12-17-8-10-19(24)11-9-17)22-21(25)23-13-16(2)26-20(14-23)18-6-4-3-5-7-18/h3-11,15-16,20,24H,12-14H2,1-2H3,(H,22,25)/t15-,16-,20+/m1/s1.
What are the key properties of (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide?
(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 98786628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).