(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide

C19H19N3O3 — CID 129393763

IUPAC(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1
InChIInChI=1S/C19H19N3O3/c20-11-14-3-1-4-15(9-14)12-21-19(24)22-7-8-25-18(13-22)16-5-2-6-17(23)10-16/h1-6,9-10,18,23H,7-8,12-13H2,(H,21,24)/t18-/m0/s1
InChIKeyVPKBJGYAXPJNRD-SFHVURJKSA-N
MW337.38 g/mol
LogP2.55
Rot. Bonds3

About (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide

(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide (PubChem CID 129393763) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
PubChem CID129393763
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1
InChIInChI=1S/C19H19N3O3/c20-11-14-3-1-4-15(9-14)12-21-19(24)22-7-8-25-18(13-22)16-5-2-6-17(23)10-16/h1-6,9-10,18,23H,7-8,12-13H2,(H,21,24)/t18-/m0/s1
InChIKeyVPKBJGYAXPJNRD-SFHVURJKSA-N
XLogP2.55
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 102555839
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
CID 124883023
N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 47249348
1-[(3-cyanophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032285
(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 99641671
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 124884126
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
3-[(2S)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741803
3-[(2R)-4-(3-pyrimidin-4-ylpropanoyl)morpholin-2-yl]benzonitrile
CID 124741802
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide (CID 129393763) is (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide is N#Cc1cccc(CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1.
What is the InChIKey of (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
The InChIKey is VPKBJGYAXPJNRD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-11-14-3-1-4-15(9-14)12-21-19(24)22-7-8-25-18(13-22)16-5-2-6-17(23)10-16/h1-6,9-10,18,23H,7-8,12-13H2,(H,21,24)/t18-/m0/s1.
What are the key properties of (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 129393763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).