[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

C17H28N4O3 — CID 127247752

IUPAC[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1nc(CN2CCOC(C)(C(=O)N3CCOCC3)C2)c(C)[nH]1
InChIInChI=1S/C17H28N4O3/c1-4-15-18-13(2)14(19-15)11-20-5-10-24-17(3,12-20)16(22)21-6-8-23-9-7-21/h4-12H2,1-3H3,(H,18,19)
InChIKeyAYXLSGWXESHHCW-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.73
Rot. Bonds4

About [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone

[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 127247752) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID127247752
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1nc(CN2CCOC(C)(C(=O)N3CCOCC3)C2)c(C)[nH]1
InChIInChI=1S/C17H28N4O3/c1-4-15-18-13(2)14(19-15)11-20-5-10-24-17(3,12-20)16(22)21-6-8-23-9-7-21/h4-12H2,1-3H3,(H,18,19)
InChIKeyAYXLSGWXESHHCW-UHFFFAOYSA-N
XLogP0.73
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone (CID 127247752) is [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is CCc1nc(CN2CCOC(C)(C(=O)N3CCOCC3)C2)c(C)[nH]1.
What is the InChIKey of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AYXLSGWXESHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-15-18-13(2)14(19-15)11-20-5-10-24-17(3,12-20)16(22)21-6-8-23-9-7-21/h4-12H2,1-3H3,(H,18,19).
What are the key properties of [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone?
[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127247752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).