3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one

C16H20N2O3 — CID 115750353

IUPAC3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNCc1coc2ccccc12)N1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-16(18-7-9-20-10-8-18)5-6-17-11-13-12-21-15-4-2-1-3-14(13)15/h1-4,12,17H,5-11H2
InChIKeyYQSZDVQLWBNDEJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.77
Rot. Bonds5

About 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one

3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 115750353) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID115750353
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNCc1coc2ccccc12)N1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-16(18-7-9-20-10-8-18)5-6-17-11-13-12-21-15-4-2-1-3-14(13)15/h1-4,12,17H,5-11H2
InChIKeyYQSZDVQLWBNDEJ-UHFFFAOYSA-N
XLogP1.77
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115618229
3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115603112
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850236
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
CID 103262999
3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585099
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585147
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
CID 80700757
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one (CID 115750353) is 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one is O=C(CCNCc1coc2ccccc12)N1CCOCC1.
What is the InChIKey of 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is YQSZDVQLWBNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16(18-7-9-20-10-8-18)5-6-17-11-13-12-21-15-4-2-1-3-14(13)15/h1-4,12,17H,5-11H2.
What are the key properties of 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one?
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115750353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).