3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one

C17H25NO3 — CID 661507

IUPAC3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)16(14-4-6-15(20-3)7-5-14)12-17(19)18-8-10-21-11-9-18/h4-7,13,16H,8-12H2,1-3H3
InChIKeyCFGUEQFYQRURNV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one

3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 661507) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID661507
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)16(14-4-6-15(20-3)7-5-14)12-17(19)18-8-10-21-11-9-18/h4-7,13,16H,8-12H2,1-3H3
InChIKeyCFGUEQFYQRURNV-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one (CID 661507) is 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one is COc1ccc(C(CC(=O)N2CCOCC2)C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is CFGUEQFYQRURNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)16(14-4-6-15(20-3)7-5-14)12-17(19)18-8-10-21-11-9-18/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one?
3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 661507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).