(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone

C20H31NO4 — CID 55657290

IUPAC(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)N2CCOC(C)(C)C2)cc1OC
InChIInChI=1S/C20H31NO4/c1-5-6-7-8-12-24-17-10-9-16(14-18(17)23-4)19(22)21-11-13-25-20(2,3)15-21/h9-10,14H,5-8,11-13,15H2,1-4H3
InChIKeyFOJKVWYKEZVAPV-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.91
Rot. Bonds8

About (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone

(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone (PubChem CID 55657290) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone
PubChem CID55657290
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)N2CCOC(C)(C)C2)cc1OC
InChIInChI=1S/C20H31NO4/c1-5-6-7-8-12-24-17-10-9-16(14-18(17)23-4)19(22)21-11-13-25-20(2,3)15-21/h9-10,14H,5-8,11-13,15H2,1-4H3
InChIKeyFOJKVWYKEZVAPV-UHFFFAOYSA-N
XLogP3.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-butoxy-3-methoxyphenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 55675477
1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496456
(4-hexoxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55329457
(4-hexoxy-3-methoxyphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56544785
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
CID 55601246
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
(4-hexoxy-3-methoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885059
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
ethyl 6-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55578396

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone (CID 55657290) is (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone is CCCCCCOc1ccc(C(=O)N2CCOC(C)(C)C2)cc1OC.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone?
The InChIKey is FOJKVWYKEZVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-5-6-7-8-12-24-17-10-9-16(14-18(17)23-4)19(22)21-11-13-25-20(2,3)15-21/h9-10,14H,5-8,11-13,15H2,1-4H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone?
(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone has a molecular weight of 349.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 55657290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).