4-[4-(propan-2-ylamino)phenyl]morpholin-3-one

C13H18N2O2 — CID 70327069

IUPAC4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
SMILESCC(C)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)14-11-3-5-12(6-4-11)15-7-8-17-9-13(15)16/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRGRSJJRLXSZVPQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds3

About 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one

4-[4-(propan-2-ylamino)phenyl]morpholin-3-one (PubChem CID 70327069) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
PubChem CID70327069
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
SMILESCC(C)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)14-11-3-5-12(6-4-11)15-7-8-17-9-13(15)16/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRGRSJJRLXSZVPQ-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-[[(2R)-aziridin-2-yl]methylamino]phenyl]morpholin-3-one
CID 59515495
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282

Frequently Asked Questions

What is the IUPAC name of 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one?
The IUPAC name of 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one (CID 70327069) is 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one is CC(C)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one?
The InChIKey is RGRSJJRLXSZVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)14-11-3-5-12(6-4-11)15-7-8-17-9-13(15)16/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one?
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propan-2-ylamino)phenyl]morpholin-3-one is sourced from PubChem (CID 70327069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).