1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride

C18H28ClNO2 — CID 53422269

IUPAC1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
SMILESCC(C)c1ccc(C(C)C)c(C(=O)CN2CCOCC2)c1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-13(2)15-5-6-16(14(3)4)17(11-15)18(20)12-19-7-9-21-10-8-19;/h5-6,11,13-14H,7-10,12H2,1-4H3;1H
InChIKeyVKACNHCUVSHURF-UHFFFAOYSA-N
MW325.88 g/mol
LogP3.87
Rot. Bonds5

About 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride

1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride (PubChem CID 53422269) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
PubChem CID53422269
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
SMILESCC(C)c1ccc(C(C)C)c(C(=O)CN2CCOCC2)c1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-13(2)15-5-6-16(14(3)4)17(11-15)18(20)12-19-7-9-21-10-8-19;/h5-6,11,13-14H,7-10,12H2,1-4H3;1H
InChIKeyVKACNHCUVSHURF-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride (CID 53422269) is 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride is CC(C)c1ccc(C(C)C)c(C(=O)CN2CCOCC2)c1.Cl.
What is the InChIKey of 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride?
The InChIKey is VKACNHCUVSHURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-13(2)15-5-6-16(14(3)4)17(11-15)18(20)12-19-7-9-21-10-8-19;/h5-6,11,13-14H,7-10,12H2,1-4H3;1H.
What are the key properties of 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride?
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 53422269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).