(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide

C19H28N2O4 — CID 126819158

IUPAC(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)[C@@H]1COCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N2O4/c22-16(13-21-7-10-24-11-8-21)12-20-19(23)18-14-25-9-6-17(18)15-4-2-1-3-5-15/h1-5,16-18,22H,6-14H2,(H,20,23)/t16?,17-,18-/m1/s1
InChIKeyOGNLGUPYYFJIIV-UKKPGEIXSA-N
MW348.44 g/mol
LogP0.62
Rot. Bonds6

About (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide

(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide (PubChem CID 126819158) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide
PubChem CID126819158
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)[C@@H]1COCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N2O4/c22-16(13-21-7-10-24-11-8-21)12-20-19(23)18-14-25-9-6-17(18)15-4-2-1-3-5-15/h1-5,16-18,22H,6-14H2,(H,20,23)/t16?,17-,18-/m1/s1
InChIKeyOGNLGUPYYFJIIV-UKKPGEIXSA-N
XLogP0.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 110887213
cis-(1S,2R)-2-cyclopropyl-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]cyclopropane-1-carboxamide
CID 129381892
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 126839949
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 110887236
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]oxane-3-carboxamide
CID 122136771
(4R)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 97245616
(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97070411
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
CID 126828439

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide?
The IUPAC name of (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide (CID 126819158) is (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide is O=C(NCC(O)CN1CCOCC1)[C@@H]1COCC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide?
The InChIKey is OGNLGUPYYFJIIV-UKKPGEIXSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-16(13-21-7-10-24-11-8-21)12-20-19(23)18-14-25-9-6-17(18)15-4-2-1-3-5-15/h1-5,16-18,22H,6-14H2,(H,20,23)/t16?,17-,18-/m1/s1.
What are the key properties of (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide?
(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide is sourced from PubChem (CID 126819158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).