5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one

C15H29NO2 — CID 58598990

IUPAC5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one
SMILESCOC1C(C)C(=O)CNC(C)CCCC(C)C1C
InChIInChI=1S/C15H29NO2/c1-10-7-6-8-11(2)16-9-14(17)13(4)15(18-5)12(10)3/h10-13,15-16H,6-9H2,1-5H3
InChIKeyURUNALFEIIGMCH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.64
Rot. Bonds1

About 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one

5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one (PubChem CID 58598990) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one.

Molecular Properties

Compound Name5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one
PubChem CID58598990
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one
SMILESCOC1C(C)C(=O)CNC(C)CCCC(C)C1C
InChIInChI=1S/C15H29NO2/c1-10-7-6-8-11(2)16-9-14(17)13(4)15(18-5)12(10)3/h10-13,15-16H,6-9H2,1-5H3
InChIKeyURUNALFEIIGMCH-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one?
The IUPAC name of 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one (CID 58598990) is 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one.
What is the SMILES notation for 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one?
The canonical SMILES for 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one is COC1C(C)C(=O)CNC(C)CCCC(C)C1C.
What is the InChIKey of 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one?
The InChIKey is URUNALFEIIGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10-7-6-8-11(2)16-9-14(17)13(4)15(18-5)12(10)3/h10-13,15-16H,6-9H2,1-5H3.
What are the key properties of 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one?
5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,6,7,11-tetramethyl-azacycloundecan-3-one is sourced from PubChem (CID 58598990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).