1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone

C19H27NO3 — CID 111432693

IUPAC1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)CC1(O)CCCC1
InChIInChI=1S/C19H27NO3/c1-18(2)14-23-16(15-8-4-3-5-9-15)13-20(18)17(21)12-19(22)10-6-7-11-19/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3
InChIKeyQXBTXZYENVNSFT-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.06
Rot. Bonds3

About 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111432693) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111432693
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)CC1(O)CCCC1
InChIInChI=1S/C19H27NO3/c1-18(2)14-23-16(15-8-4-3-5-9-15)13-20(18)17(21)12-19(22)10-6-7-11-19/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3
InChIKeyQXBTXZYENVNSFT-UHFFFAOYSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone (CID 111432693) is 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone is CC1(C)COC(c2ccccc2)CN1C(=O)CC1(O)CCCC1.
What is the InChIKey of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is QXBTXZYENVNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-18(2)14-23-16(15-8-4-3-5-9-15)13-20(18)17(21)12-19(22)10-6-7-11-19/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3.
What are the key properties of 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone?
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111432693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).