[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone

C20H21NO3 — CID 2999020

IUPAC[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H21NO3/c1-14-12-21(13-15(2)24-14)20(23)18-10-8-17(9-11-18)19(22)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyWYLWBOHMUGWEDR-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.17
Rot. Bonds3

About [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone (PubChem CID 2999020) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone
PubChem CID2999020
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H21NO3/c1-14-12-21(13-15(2)24-14)20(23)18-10-8-17(9-11-18)19(22)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyWYLWBOHMUGWEDR-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone (CID 2999020) is [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone is CC1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone?
The InChIKey is WYLWBOHMUGWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-12-21(13-15(2)24-14)20(23)18-10-8-17(9-11-18)19(22)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone?
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone has a molecular weight of 323.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-phenylmethanone is sourced from PubChem (CID 2999020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).