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

C15H24N4O3 — CID 110268296

IUPAC[2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCn1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H24N4O3/c1-15(14(20)19-6-8-21-9-7-19)12-18(5-10-22-15)11-13-16-3-4-17(13)2/h3-4H,5-12H2,1-2H3
InChIKeyYODMKOFDBPFZSF-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.13
Rot. Bonds3

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

[2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110268296) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID110268296
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCn1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H24N4O3/c1-15(14(20)19-6-8-21-9-7-19)12-18(5-10-22-15)11-13-16-3-4-17(13)2/h3-4H,5-12H2,1-2H3
InChIKeyYODMKOFDBPFZSF-UHFFFAOYSA-N
XLogP-0.13
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.13
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-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 110268296) is [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is Cn1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1.
What is the InChIKey of [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YODMKOFDBPFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(14(20)19-6-8-21-9-7-19)12-18(5-10-22-15)11-13-16-3-4-17(13)2/h3-4H,5-12H2,1-2H3.
What are the key properties of [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 308.38 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110268296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).