2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone

C18H19NO3 — CID 102125828

IUPAC2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Nc1ccccc1)C1COCCO1
InChIInChI=1S/C18H19NO3/c20-18(14-7-3-1-4-8-14)17(16-13-21-11-12-22-16)19-15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2
InChIKeyCCKOJBTYGZEPII-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.77
Rot. Bonds5

About 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone

2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone (PubChem CID 102125828) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone
PubChem CID102125828
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Nc1ccccc1)C1COCCO1
InChIInChI=1S/C18H19NO3/c20-18(14-7-3-1-4-8-14)17(16-13-21-11-12-22-16)19-15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2
InChIKeyCCKOJBTYGZEPII-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone?
The IUPAC name of 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone (CID 102125828) is 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone?
The canonical SMILES for 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone is O=C(c1ccccc1)C(Nc1ccccc1)C1COCCO1.
What is the InChIKey of 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone?
The InChIKey is CCKOJBTYGZEPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(14-7-3-1-4-8-14)17(16-13-21-11-12-22-16)19-15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2.
What are the key properties of 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone?
2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone has a molecular weight of 297.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone is sourced from PubChem (CID 102125828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).