N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide

C20H32N3O4+ — CID 7395843

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH+]1CCCC1
InChIInChI=1S/C20H31N3O4/c1-3-26-18-14-17(23-9-11-25-12-10-23)19(27-4-2)13-16(18)21-20(24)15-22-7-5-6-8-22/h13-14H,3-12,15H2,1-2H3,(H,21,24)/p+1
InChIKeyVLVGVFYHJZVVNL-UHFFFAOYSA-O
MW378.49 g/mol
LogP0.94
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 7395843) has the molecular formula C20H32N3O4+ and a molecular weight of 378.49 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID7395843
Molecular FormulaC20H32N3O4+
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH+]1CCCC1
InChIInChI=1S/C20H31N3O4/c1-3-26-18-14-17(23-9-11-25-12-10-23)19(27-4-2)13-16(18)21-20(24)15-22-7-5-6-8-22/h13-14H,3-12,15H2,1-2H3,(H,21,24)/p+1
InChIKeyVLVGVFYHJZVVNL-UHFFFAOYSA-O
XLogP0.94
TPSA64.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
[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)-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
(2S)-2-(azepan-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 9323693
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
CID 8627378

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide (CID 7395843) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH+]1CCCC1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is VLVGVFYHJZVVNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H31N3O4/c1-3-26-18-14-17(23-9-11-25-12-10-23)19(27-4-2)13-16(18)21-20(24)15-22-7-5-6-8-22/h13-14H,3-12,15H2,1-2H3,(H,21,24)/p+1.
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 378.49 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 7395843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).