3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one

C15H20N2O3 — CID 109015750

IUPAC3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(=O)c1cccc(NCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N2O3/c1-12(18)13-3-2-4-14(11-13)16-6-5-15(19)17-7-9-20-10-8-17/h2-4,11,16H,5-10H2,1H3
InChIKeyZKHBGMAPTRKVDY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds5

About 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one

3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 109015750) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID109015750
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(=O)c1cccc(NCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N2O3/c1-12(18)13-3-2-4-14(11-13)16-6-5-15(19)17-7-9-20-10-8-17/h2-4,11,16H,5-10H2,1H3
InChIKeyZKHBGMAPTRKVDY-UHFFFAOYSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
CID 113411257
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
3-(3-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029494
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 109013882
(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711519
N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one (CID 109015750) is 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one is CC(=O)c1cccc(NCCC(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZKHBGMAPTRKVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)13-3-2-4-14(11-13)16-6-5-15(19)17-7-9-20-10-8-17/h2-4,11,16H,5-10H2,1H3.
What are the key properties of 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one?
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 109015750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).