3-methyl-3-morpholin-4-yltridecan-4-one

C18H35NO2 — CID 79057084

IUPAC3-methyl-3-morpholin-4-yltridecan-4-one
SMILESCCCCCCCCCC(=O)C(C)(CC)N1CCOCC1
InChIInChI=1S/C18H35NO2/c1-4-6-7-8-9-10-11-12-17(20)18(3,5-2)19-13-15-21-16-14-19/h4-16H2,1-3H3
InChIKeyHDNWLQFDCQSNRL-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.20
Rot. Bonds11

About 3-methyl-3-morpholin-4-yltridecan-4-one

3-methyl-3-morpholin-4-yltridecan-4-one (PubChem CID 79057084) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-yltridecan-4-one.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-yltridecan-4-one
PubChem CID79057084
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-methyl-3-morpholin-4-yltridecan-4-one
SMILESCCCCCCCCCC(=O)C(C)(CC)N1CCOCC1
InChIInChI=1S/C18H35NO2/c1-4-6-7-8-9-10-11-12-17(20)18(3,5-2)19-13-15-21-16-14-19/h4-16H2,1-3H3
InChIKeyHDNWLQFDCQSNRL-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-yltridecan-4-one?
The IUPAC name of 3-methyl-3-morpholin-4-yltridecan-4-one (CID 79057084) is 3-methyl-3-morpholin-4-yltridecan-4-one.
What is the SMILES notation for 3-methyl-3-morpholin-4-yltridecan-4-one?
The canonical SMILES for 3-methyl-3-morpholin-4-yltridecan-4-one is CCCCCCCCCC(=O)C(C)(CC)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-yltridecan-4-one?
The InChIKey is HDNWLQFDCQSNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-6-7-8-9-10-11-12-17(20)18(3,5-2)19-13-15-21-16-14-19/h4-16H2,1-3H3.
What are the key properties of 3-methyl-3-morpholin-4-yltridecan-4-one?
3-methyl-3-morpholin-4-yltridecan-4-one has a molecular weight of 297.48 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-yltridecan-4-one is sourced from PubChem (CID 79057084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).