1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone

C18H27NO4 — CID 46986778

IUPAC1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
SMILESCOCCC1CN(C(=O)COc2c(C)ccc(C)c2C)CCO1
InChIInChI=1S/C18H27NO4/c1-13-5-6-14(2)18(15(13)3)23-12-17(20)19-8-10-22-16(11-19)7-9-21-4/h5-6,16H,7-12H2,1-4H3
InChIKeyOCKHRSZGMQWXCL-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone

1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone (PubChem CID 46986778) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
PubChem CID46986778
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
SMILESCOCCC1CN(C(=O)COc2c(C)ccc(C)c2C)CCO1
InChIInChI=1S/C18H27NO4/c1-13-5-6-14(2)18(15(13)3)23-12-17(20)19-8-10-22-16(11-19)7-9-21-4/h5-6,16H,7-12H2,1-4H3
InChIKeyOCKHRSZGMQWXCL-UHFFFAOYSA-N
XLogP2.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 91840309
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124755147
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 81197403
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 46982810
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(2,3,6-trimethylphenoxy)ethanone
CID 108533513
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone (CID 46986778) is 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone is COCCC1CN(C(=O)COc2c(C)ccc(C)c2C)CCO1.
What is the InChIKey of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone?
The InChIKey is OCKHRSZGMQWXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-13-5-6-14(2)18(15(13)3)23-12-17(20)19-8-10-22-16(11-19)7-9-21-4/h5-6,16H,7-12H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone?
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone has a molecular weight of 321.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 46986778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).