2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

C26H38N2O4 — CID 4877971

IUPAC2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H38N2O4/c1-3-31-23-13-22(28-5-7-30-8-6-28)24(32-4-2)12-21(23)27-25(29)17-26-14-18-9-19(15-26)11-20(10-18)16-26/h12-13,18-20H,3-11,14-17H2,1-2H3,(H,27,29)
InChIKeyDOIYDADRICFCFL-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.87
Rot. Bonds8

About 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (PubChem CID 4877971) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
PubChem CID4877971
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H38N2O4/c1-3-31-23-13-22(28-5-7-30-8-6-28)24(32-4-2)12-21(23)27-25(29)17-26-14-18-9-19(15-26)11-20(10-18)16-26/h12-13,18-20H,3-11,14-17H2,1-2H3,(H,27,29)
InChIKeyDOIYDADRICFCFL-UHFFFAOYSA-N
XLogP4.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 26717033
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
(5R,7R)-3-acetamido-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)adamantane-1-carboxamide
CID 98393155
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3447844
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
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)-4-oxo-4-thiophen-2-ylbutanamide
CID 26663462
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (CID 4877971) is 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DOIYDADRICFCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-3-31-23-13-22(28-5-7-30-8-6-28)24(32-4-2)12-21(23)27-25(29)17-26-14-18-9-19(15-26)11-20(10-18)16-26/h12-13,18-20H,3-11,14-17H2,1-2H3,(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 442.60 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4877971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).