3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile

C20H20N2O3 — CID 124883023

IUPAC3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
SMILESN#Cc1cccc([C@@H]2CN(C(=O)CCc3ccc(O)cc3)CCO2)c1
InChIInChI=1S/C20H20N2O3/c21-13-16-2-1-3-17(12-16)19-14-22(10-11-25-19)20(24)9-6-15-4-7-18(23)8-5-15/h1-5,7-8,12,19,23H,6,9-11,14H2/t19-/m0/s1
InChIKeyQDUHUPHDTRUHGL-IBGZPJMESA-N
MW336.39 g/mol
LogP2.80
Rot. Bonds4

About 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile

3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile (PubChem CID 124883023) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
PubChem CID124883023
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile
SMILESN#Cc1cccc([C@@H]2CN(C(=O)CCc3ccc(O)cc3)CCO2)c1
InChIInChI=1S/C20H20N2O3/c21-13-16-2-1-3-17(12-16)19-14-22(10-11-25-19)20(24)9-6-15-4-7-18(23)8-5-15/h1-5,7-8,12,19,23H,6,9-11,14H2/t19-/m0/s1
InChIKeyQDUHUPHDTRUHGL-IBGZPJMESA-N
XLogP2.80
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
(2R)-2-(3-cyanophenyl)-N-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 124884126
3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
CID 124887188
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
3-[4-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]benzonitrile
CID 155954220
3-[(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]morpholin-2-yl]benzonitrile
CID 124888664
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile?
The IUPAC name of 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile (CID 124883023) is 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile.
What is the SMILES notation for 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile?
The canonical SMILES for 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile is N#Cc1cccc([C@@H]2CN(C(=O)CCc3ccc(O)cc3)CCO2)c1.
What is the InChIKey of 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile?
The InChIKey is QDUHUPHDTRUHGL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2O3/c21-13-16-2-1-3-17(12-16)19-14-22(10-11-25-19)20(24)9-6-15-4-7-18(23)8-5-15/h1-5,7-8,12,19,23H,6,9-11,14H2/t19-/m0/s1.
What are the key properties of 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile?
3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile has a molecular weight of 336.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-[3-(4-hydroxyphenyl)propanoyl]morpholin-2-yl]benzonitrile is sourced from PubChem (CID 124883023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).