N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide

C18H20N2O4 — CID 69006103

IUPACN,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H20N2O4/c21-11-15(13-7-3-1-4-8-13)19-17(23)18(24)20-16(12-22)14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKeyUVLNKDDDIQAUAY-HOTGVXAUSA-N
MW328.37 g/mol
LogP0.69
Rot. Bonds6

About N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide

N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide (PubChem CID 69006103) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide
PubChem CID69006103
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H20N2O4/c21-11-15(13-7-3-1-4-8-13)19-17(23)18(24)20-16(12-22)14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKeyUVLNKDDDIQAUAY-HOTGVXAUSA-N
XLogP0.69
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide?
The IUPAC name of N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide (CID 69006103) is N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide.
What is the SMILES notation for N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide?
The canonical SMILES for N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide is O=C(N[C@@H](CO)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide?
The InChIKey is UVLNKDDDIQAUAY-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-11-15(13-7-3-1-4-8-13)19-17(23)18(24)20-16(12-22)14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1.
What are the key properties of N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide?
N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide has a molecular weight of 328.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1R)-2-hydroxy-1-phenylethyl]oxamide is sourced from PubChem (CID 69006103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).