2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone

C19H27NO3 — CID 3138606

IUPAC2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone
SMILESCC1(C)CC(CC(=O)N2CCOCC2)(c2ccccc2)CCO1
InChIInChI=1S/C19H27NO3/c1-18(2)15-19(8-11-23-18,16-6-4-3-5-7-16)14-17(21)20-9-12-22-13-10-20/h3-7H,8-15H2,1-2H3
InChIKeyNNJXOMCHXNHMDQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.76
Rot. Bonds3

About 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone

2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone (PubChem CID 3138606) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone
PubChem CID3138606
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone
SMILESCC1(C)CC(CC(=O)N2CCOCC2)(c2ccccc2)CCO1
InChIInChI=1S/C19H27NO3/c1-18(2)15-19(8-11-23-18,16-6-4-3-5-7-16)14-17(21)20-9-12-22-13-10-20/h3-7H,8-15H2,1-2H3
InChIKeyNNJXOMCHXNHMDQ-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone (CID 3138606) is 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone is CC1(C)CC(CC(=O)N2CCOCC2)(c2ccccc2)CCO1.
What is the InChIKey of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone?
The InChIKey is NNJXOMCHXNHMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-18(2)15-19(8-11-23-18,16-6-4-3-5-7-16)14-17(21)20-9-12-22-13-10-20/h3-7H,8-15H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone?
2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-phenyloxan-4-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 3138606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).