2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile

C15H19N3O2 — CID 60661902

IUPAC2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O2/c1-12(15(19)18-8-10-20-11-9-18)17-14-4-2-13(3-5-14)6-7-16/h2-5,12,17H,6,8-11H2,1H3
InChIKeyWALJHSJSKXTTJD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile

2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile (PubChem CID 60661902) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
PubChem CID60661902
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O2/c1-12(15(19)18-8-10-20-11-9-18)17-14-4-2-13(3-5-14)6-7-16/h2-5,12,17H,6,8-11H2,1H3
InChIKeyWALJHSJSKXTTJD-UHFFFAOYSA-N
XLogP1.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile with MolForge

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Related Compounds

5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
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
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
CID 52507271
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 75520261
2-[4-(cyanomethyl)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 86919171
2-[4-(cyanomethyl)anilino]-N-pentan-3-ylpropanamide
CID 60721067
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile (CID 60661902) is 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile is CC(Nc1ccc(CC#N)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile?
The InChIKey is WALJHSJSKXTTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(15(19)18-8-10-20-11-9-18)17-14-4-2-13(3-5-14)6-7-16/h2-5,12,17H,6,8-11H2,1H3.
What are the key properties of 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile?
2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 60661902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).