N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide

C16H20N2O4 — CID 97245650

IUPACN-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
SMILESO=C(NC[C@H](O)CN1CCOCC1)c1coc2ccccc12
InChIInChI=1S/C16H20N2O4/c19-12(10-18-5-7-21-8-6-18)9-17-16(20)14-11-22-15-4-2-1-3-13(14)15/h1-4,11-12,19H,5-10H2,(H,17,20)/t12-/m0/s1
InChIKeyULCFJEACZODAJO-LBPRGKRZSA-N
MW304.35 g/mol
LogP0.86
Rot. Bonds5

About N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide

N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide (PubChem CID 97245650) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
PubChem CID97245650
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
SMILESO=C(NC[C@H](O)CN1CCOCC1)c1coc2ccccc12
InChIInChI=1S/C16H20N2O4/c19-12(10-18-5-7-21-8-6-18)9-17-16(20)14-11-22-15-4-2-1-3-13(14)15/h1-4,11-12,19H,5-10H2,(H,17,20)/t12-/m0/s1
InChIKeyULCFJEACZODAJO-LBPRGKRZSA-N
XLogP0.86
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
CID 126828439
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 126839955
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
1-(2-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112818169
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
CID 888968
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide (CID 97245650) is N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide is O=C(NC[C@H](O)CN1CCOCC1)c1coc2ccccc12.
What is the InChIKey of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide?
The InChIKey is ULCFJEACZODAJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-12(10-18-5-7-21-8-6-18)9-17-16(20)14-11-22-15-4-2-1-3-13(14)15/h1-4,11-12,19H,5-10H2,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide?
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97245650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).