2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid

C18H26N2O6 — CID 16807058

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
SMILESCC1CN(CC(=O)NCCc2ccccc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O2.C2H2O4/c1-13-10-18(11-14(2)20-13)12-16(19)17-9-8-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,13-14H,8-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeySYDXOTWVTVCXCJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP0.61
Rot. Bonds5

About 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid

2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid (PubChem CID 16807058) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
PubChem CID16807058
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
SMILESCC1CN(CC(=O)NCCc2ccccc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O2.C2H2O4/c1-13-10-18(11-14(2)20-13)12-16(19)17-9-8-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,13-14H,8-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6)
InChIKeySYDXOTWVTVCXCJ-UHFFFAOYSA-N
XLogP0.61
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid (CID 16807058) is 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid is CC1CN(CC(=O)NCCc2ccccc2)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid?
The InChIKey is SYDXOTWVTVCXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H2O4/c1-13-10-18(11-14(2)20-13)12-16(19)17-9-8-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,13-14H,8-12H2,1-2H3,(H,17,19);(H,3,4)(H,5,6).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid?
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid has a molecular weight of 366.41 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid is sourced from PubChem (CID 16807058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).