3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one

C16H23NO3 — CID 22340967

IUPAC3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one
SMILESCC(C)C(OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-13(2)15(16(18)17-8-10-19-11-9-17)20-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyAPJLWIXZGZNVHT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.09
Rot. Bonds5

About 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one

3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one (PubChem CID 22340967) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one
PubChem CID22340967
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one
SMILESCC(C)C(OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-13(2)15(16(18)17-8-10-19-11-9-17)20-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyAPJLWIXZGZNVHT-UHFFFAOYSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one?
The IUPAC name of 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one (CID 22340967) is 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one.
What is the SMILES notation for 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one?
The canonical SMILES for 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one is CC(C)C(OCc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one?
The InChIKey is APJLWIXZGZNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(2)15(16(18)17-8-10-19-11-9-17)20-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one?
3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-yl-2-phenylmethoxybutan-1-one is sourced from PubChem (CID 22340967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).