2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile

C20H21N3O3 — CID 52507271

IUPAC2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
SMILESC[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c1-15(20(24)23-10-12-25-13-11-23)22-17-6-8-18(9-7-17)26-19-5-3-2-4-16(19)14-21/h2-9,15,22H,10-13H2,1H3/t15-/m1/s1
InChIKeyINVOGQZGLRBRCF-OAHLLOKOSA-N
MW351.41 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile

2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile (PubChem CID 52507271) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
PubChem CID52507271
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
SMILESC[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c1-15(20(24)23-10-12-25-13-11-23)22-17-6-8-18(9-7-17)26-19-5-3-2-4-16(19)14-21/h2-9,15,22H,10-13H2,1H3/t15-/m1/s1
InChIKeyINVOGQZGLRBRCF-OAHLLOKOSA-N
XLogP3.01
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile with MolForge

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Related Compounds

2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
CID 47486362
2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 60583084
2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
CID 60661902
5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 75520261
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
3-methoxy-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107467458
N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577589
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile?
The IUPAC name of 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile (CID 52507271) is 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile.
What is the SMILES notation for 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile?
The canonical SMILES for 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile is C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile?
The InChIKey is INVOGQZGLRBRCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(20(24)23-10-12-25-13-11-23)22-17-6-8-18(9-7-17)26-19-5-3-2-4-16(19)14-21/h2-9,15,22H,10-13H2,1H3/t15-/m1/s1.
What are the key properties of 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile?
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile has a molecular weight of 351.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile is sourced from PubChem (CID 52507271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).