(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide

C18H22N2O4 — CID 97014787

IUPAC(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccco1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O4/c21-17(14-5-2-1-3-6-14)11-15-13-23-10-8-20(15)18(22)19-12-16-7-4-9-24-16/h1-7,9,15,17,21H,8,10-13H2,(H,19,22)/t15-,17-/m0/s1
InChIKeyCZEZQFHATVSUHA-RDJZCZTQSA-N
MW330.38 g/mol
LogP2.31
Rot. Bonds5

About (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide

(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide (PubChem CID 97014787) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
PubChem CID97014787
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccco1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O4/c21-17(14-5-2-1-3-6-14)11-15-13-23-10-8-20(15)18(22)19-12-16-7-4-9-24-16/h1-7,9,15,17,21H,8,10-13H2,(H,19,22)/t15-,17-/m0/s1
InChIKeyCZEZQFHATVSUHA-RDJZCZTQSA-N
XLogP2.31
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
N-[(1-cyclopropylcyclopropyl)methyl]-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499793
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
3-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 109467719
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225
(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
CID 97244661
N-tert-butyl-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109467720
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
CID 97061516
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 97244674
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
(3R)-N-(4-cyclopentyloxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014789

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide (CID 97014787) is (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide is O=C(NCc1ccco1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide?
The InChIKey is CZEZQFHATVSUHA-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17(14-5-2-1-3-6-14)11-15-13-23-10-8-20(15)18(22)19-12-16-7-4-9-24-16/h1-7,9,15,17,21H,8,10-13H2,(H,19,22)/t15-,17-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide?
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 97014787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).