2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one

C16H24N2O3 — CID 115593323

IUPAC2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCOc1ccc(CNC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-21-15-6-4-14(5-7-15)12-17-13(2)16(19)18-8-10-20-11-9-18/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyZDGBDEJNIGTCHP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one

2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115593323) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115593323
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCOc1ccc(CNC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-21-15-6-4-14(5-7-15)12-17-13(2)16(19)18-8-10-20-11-9-18/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyZDGBDEJNIGTCHP-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
2-[(4-prop-2-enoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615290
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115653757
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
2-[(2-fluoro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103757269
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115593323) is 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one is CCOc1ccc(CNC(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZDGBDEJNIGTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-15-6-4-14(5-7-15)12-17-13(2)16(19)18-8-10-20-11-9-18/h4-7,13,17H,3,8-12H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115593323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).