2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

C20H32N2O5 — CID 3508709

IUPAC2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCCCOCC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC
InChIInChI=1S/C20H32N2O5/c1-4-7-10-25-15-20(23)21-16-13-19(27-6-3)17(14-18(16)26-5-2)22-8-11-24-12-9-22/h13-14H,4-12,15H2,1-3H3,(H,21,23)
InChIKeyVKTOZWZVDTWPMH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.08
Rot. Bonds11

About 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (PubChem CID 3508709) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
PubChem CID3508709
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCCCOCC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC
InChIInChI=1S/C20H32N2O5/c1-4-7-10-25-15-20(23)21-16-13-19(27-6-3)17(14-18(16)26-5-2)22-8-11-24-12-9-22/h13-14H,4-12,15H2,1-3H3,(H,21,23)
InChIKeyVKTOZWZVDTWPMH-UHFFFAOYSA-N
XLogP3.08
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 16539860
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7738305

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (CID 3508709) is 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is CCCCOCC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC.
What is the InChIKey of 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is VKTOZWZVDTWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-4-7-10-25-15-20(23)21-16-13-19(27-6-3)17(14-18(16)26-5-2)22-8-11-24-12-9-22/h13-14H,4-12,15H2,1-3H3,(H,21,23).
What are the key properties of 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3508709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).