[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone

C22H27NO2 — CID 13268161

IUPAC[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC1CN(CC(C)c2cccc(C(=O)c3ccccc3)c2)CC(C)O1
InChIInChI=1S/C22H27NO2/c1-16(13-23-14-17(2)25-18(3)15-23)20-10-7-11-21(12-20)22(24)19-8-5-4-6-9-19/h4-12,16-18H,13-15H2,1-3H3
InChIKeyYIAPNVVBPJXYHD-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.13
Rot. Bonds5

About [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone

[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone (PubChem CID 13268161) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone
PubChem CID13268161
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC1CN(CC(C)c2cccc(C(=O)c3ccccc3)c2)CC(C)O1
InChIInChI=1S/C22H27NO2/c1-16(13-23-14-17(2)25-18(3)15-23)20-10-7-11-21(12-20)22(24)19-8-5-4-6-9-19/h4-12,16-18H,13-15H2,1-3H3
InChIKeyYIAPNVVBPJXYHD-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone (CID 13268161) is [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone is CC1CN(CC(C)c2cccc(C(=O)c3ccccc3)c2)CC(C)O1.
What is the InChIKey of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone?
The InChIKey is YIAPNVVBPJXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(13-23-14-17(2)25-18(3)15-23)20-10-7-11-21(12-20)22(24)19-8-5-4-6-9-19/h4-12,16-18H,13-15H2,1-3H3.
What are the key properties of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone?
[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone has a molecular weight of 337.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 13268161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).