(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide

C26H29N3O3 — CID 97061516

IUPAC(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C26H29N3O3/c1-28(21-12-6-3-7-13-21)24-15-9-8-14-23(24)27-26(31)29-16-17-32-19-22(29)18-25(30)20-10-4-2-5-11-20/h2-15,22,25,30H,16-19H2,1H3,(H,27,31)/t22-,25-/m0/s1
InChIKeyRMADWURTQDKHAY-DHLKQENFSA-N
MW431.54 g/mol
LogP4.81
Rot. Bonds6

About (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide

(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide (PubChem CID 97061516) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
PubChem CID97061516
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C26H29N3O3/c1-28(21-12-6-3-7-13-21)24-15-9-8-14-23(24)27-26(31)29-16-17-32-19-22(29)18-25(30)20-10-4-2-5-11-20/h2-15,22,25,30H,16-19H2,1H3,(H,27,31)/t22-,25-/m0/s1
InChIKeyRMADWURTQDKHAY-DHLKQENFSA-N
XLogP4.81
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-acetamido-3-methoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97058385
(3R)-N-(4-cyclopentyloxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014789
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225
N-[(1-cyclopropylcyclopropyl)methyl]-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499793
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
CID 71865558
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide (CID 97061516) is (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide is CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide?
The InChIKey is RMADWURTQDKHAY-DHLKQENFSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28(21-12-6-3-7-13-21)24-15-9-8-14-23(24)27-26(31)29-16-17-32-19-22(29)18-25(30)20-10-4-2-5-11-20/h2-15,22,25,30H,16-19H2,1H3,(H,27,31)/t22-,25-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide?
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 97061516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).