6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione

C16H21NO4 — CID 72766294

IUPAC6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione
SMILESCOc1ccc(CC2OC(=O)C(C(C)C)N(C)C2=O)cc1
InChIInChI=1S/C16H21NO4/c1-10(2)14-16(19)21-13(15(18)17(14)3)9-11-5-7-12(20-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3
InChIKeyUTROHFPONJQOAG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.65
Rot. Bonds4

About 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione

6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione (PubChem CID 72766294) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione
PubChem CID72766294
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione
SMILESCOc1ccc(CC2OC(=O)C(C(C)C)N(C)C2=O)cc1
InChIInChI=1S/C16H21NO4/c1-10(2)14-16(19)21-13(15(18)17(14)3)9-11-5-7-12(20-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3
InChIKeyUTROHFPONJQOAG-UHFFFAOYSA-N
XLogP1.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione (CID 72766294) is 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione is COc1ccc(CC2OC(=O)C(C(C)C)N(C)C2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione?
The InChIKey is UTROHFPONJQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(2)14-16(19)21-13(15(18)17(14)3)9-11-5-7-12(20-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione?
6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 72766294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).