1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid

C20H22N2O7 — CID 2999975

IUPAC1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid
SMILESO=C(CNc1ccc(Oc2ccccc2)cc1)N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O3.C2H2O4/c21-18(20-10-12-22-13-11-20)14-19-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9,19H,10-14H2;(H,3,4)(H,5,6)
InChIKeyURKIFQLGOXNDGC-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.91
Rot. Bonds5

About 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid

1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid (PubChem CID 2999975) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid
PubChem CID2999975
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid
SMILESO=C(CNc1ccc(Oc2ccccc2)cc1)N1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O3.C2H2O4/c21-18(20-10-12-22-13-11-20)14-19-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9,19H,10-14H2;(H,3,4)(H,5,6)
InChIKeyURKIFQLGOXNDGC-UHFFFAOYSA-N
XLogP1.91
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid?
The IUPAC name of 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid (CID 2999975) is 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid?
The canonical SMILES for 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid is O=C(CNc1ccc(Oc2ccccc2)cc1)N1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid?
The InChIKey is URKIFQLGOXNDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.C2H2O4/c21-18(20-10-12-22-13-11-20)14-19-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9,19H,10-14H2;(H,3,4)(H,5,6).
What are the key properties of 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid?
1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid has a molecular weight of 402.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-phenoxyanilino)ethanone;oxalic acid is sourced from PubChem (CID 2999975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).