(4-tert-butylphenyl)-morpholin-4-ylmethanone

C15H21NO2 — CID 709707

IUPAC(4-tert-butylphenyl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16/h4-7H,8-11H2,1-3H3
InChIKeyCZMKNNJIGSSVMA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds1

About (4-tert-butylphenyl)-morpholin-4-ylmethanone

(4-tert-butylphenyl)-morpholin-4-ylmethanone (PubChem CID 709707) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-tert-butylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-morpholin-4-ylmethanone
PubChem CID709707
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-tert-butylphenyl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16/h4-7H,8-11H2,1-3H3
InChIKeyCZMKNNJIGSSVMA-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-tert-butylphenyl)-morpholin-4-ylmethanone (CID 709707) is (4-tert-butylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-tert-butylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-tert-butylphenyl)-morpholin-4-ylmethanone is CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-morpholin-4-ylmethanone?
The InChIKey is CZMKNNJIGSSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16/h4-7H,8-11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-morpholin-4-ylmethanone?
(4-tert-butylphenyl)-morpholin-4-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 709707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).