N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane

C23H31N3O3 — CID 176577668

IUPACN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
SMILESCC.CCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CN3CCOCC3)c2)c1
InChIInChI=1S/C21H25N3O3.C2H6/c1-3-16-5-4-6-17(11-16)18-12-19(21(15(2)25)22-13-18)23-20(26)14-24-7-9-27-10-8-24;1-2/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,23,26);1-2H3
InChIKeyULRMXQJRNZNSSE-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.81
Rot. Bonds6

About N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane

N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane (PubChem CID 176577668) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane.

Molecular Properties

Compound NameN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
PubChem CID176577668
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
SMILESCC.CCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CN3CCOCC3)c2)c1
InChIInChI=1S/C21H25N3O3.C2H6/c1-3-16-5-4-6-17(11-16)18-12-19(21(15(2)25)22-13-18)23-20(26)14-24-7-9-27-10-8-24;1-2/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,23,26);1-2H3
InChIKeyULRMXQJRNZNSSE-UHFFFAOYSA-N
XLogP3.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane?
The IUPAC name of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane (CID 176577668) is N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane.
What is the SMILES notation for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane?
The canonical SMILES for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane is CC.CCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CN3CCOCC3)c2)c1.
What is the InChIKey of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane?
The InChIKey is ULRMXQJRNZNSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.C2H6/c1-3-16-5-4-6-17(11-16)18-12-19(21(15(2)25)22-13-18)23-20(26)14-24-7-9-27-10-8-24;1-2/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,23,26);1-2H3.
What are the key properties of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane?
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane has a molecular weight of 397.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane is sourced from PubChem (CID 176577668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).