(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone

C18H27NO2 — CID 79663285

IUPAC(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H27NO2/c1-5-10-19-11-12-21-16(13-19)17(20)14-6-8-15(9-7-14)18(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyXDMSHOYAKKDUJS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.28
Rot. Bonds4

About (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone

(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 79663285) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
PubChem CID79663285
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H27NO2/c1-5-10-19-11-12-21-16(13-19)17(20)14-6-8-15(9-7-14)18(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyXDMSHOYAKKDUJS-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone (CID 79663285) is (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is XDMSHOYAKKDUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-10-19-11-12-21-16(13-19)17(20)14-6-8-15(9-7-14)18(2,3)4/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone?
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 79663285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).