cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium

C23H38N3O4+ — CID 8875582

IUPACcyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N+](C)(C)C1CCCC1
InChIInChI=1S/C23H37N3O4/c1-5-29-21-16-20(25-11-13-28-14-12-25)22(30-6-2)15-19(21)24-23(27)17-26(3,4)18-9-7-8-10-18/h15-16,18H,5-14,17H2,1-4H3/p+1
InChIKeyHFFDEDPJBOAPTF-UHFFFAOYSA-O
MW420.57 g/mol
LogP3.28
Rot. Bonds9

About cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium

cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium (PubChem CID 8875582) has the molecular formula C23H38N3O4+ and a molecular weight of 420.57 g/mol. Its IUPAC name is cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Namecyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
PubChem CID8875582
Molecular FormulaC23H38N3O4+
Molecular Weight420.57 g/mol
Exact Mass420.29
IUPAC Namecyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N+](C)(C)C1CCCC1
InChIInChI=1S/C23H37N3O4/c1-5-29-21-16-20(25-11-13-28-14-12-25)22(30-6-2)15-19(21)24-23(27)17-26(3,4)18-9-7-8-10-18/h15-16,18H,5-14,17H2,1-4H3/p+1
InChIKeyHFFDEDPJBOAPTF-UHFFFAOYSA-O
XLogP3.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3447844
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7738305
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 3297392

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium?
The IUPAC name of cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium (CID 8875582) is cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N+](C)(C)C1CCCC1.
What is the InChIKey of cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium?
The InChIKey is HFFDEDPJBOAPTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H37N3O4/c1-5-29-21-16-20(25-11-13-28-14-12-25)22(30-6-2)15-19(21)24-23(27)17-26(3,4)18-9-7-8-10-18/h15-16,18H,5-14,17H2,1-4H3/p+1.
What are the key properties of cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium?
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium has a molecular weight of 420.57 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 8875582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).