[2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

C17H28N4O3 — CID 118740290

IUPAC[2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)n1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-14(2)21-5-4-18-15(21)12-19-6-11-24-17(3,13-19)16(22)20-7-9-23-10-8-20/h4-5,14H,6-13H2,1-3H3
InChIKeyMIXJQNCANGVJSK-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.91
Rot. Bonds4

About [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

[2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 118740290) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID118740290
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)n1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-14(2)21-5-4-18-15(21)12-19-6-11-24-17(3,13-19)16(22)20-7-9-23-10-8-20/h4-5,14H,6-13H2,1-3H3
InChIKeyMIXJQNCANGVJSK-UHFFFAOYSA-N
XLogP0.91
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 118740290) is [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is CC(C)n1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1.
What is the InChIKey of [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MIXJQNCANGVJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-14(2)21-5-4-18-15(21)12-19-6-11-24-17(3,13-19)16(22)20-7-9-23-10-8-20/h4-5,14H,6-13H2,1-3H3.
What are the key properties of [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118740290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).