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

C20H31N3O4 — CID 4638262

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCC1
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)
InChIKeyVLVGVFYHJZVVNL-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.35
Rot. Bonds8

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 4638262) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID4638262
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCC1
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)
InChIKeyVLVGVFYHJZVVNL-UHFFFAOYSA-N
XLogP2.35
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide (CID 4638262) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCC1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is VLVGVFYHJZVVNL-UHFFFAOYSA-N. 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).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 377.49 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4638262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).