6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide

C18H29NO4 — CID 89059492

IUPAC6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide
SMILESCC(NC(=O)C1CCC2(C)OC2C1)OCC1CCC2(C)OC2C1
InChIInChI=1S/C18H29NO4/c1-11(21-10-12-4-6-17(2)14(8-12)22-17)19-16(20)13-5-7-18(3)15(9-13)23-18/h11-15H,4-10H2,1-3H3,(H,19,20)
InChIKeyGJBKMLUBXCWODN-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.38
Rot. Bonds5

About 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide

6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide (PubChem CID 89059492) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide
PubChem CID89059492
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide
SMILESCC(NC(=O)C1CCC2(C)OC2C1)OCC1CCC2(C)OC2C1
InChIInChI=1S/C18H29NO4/c1-11(21-10-12-4-6-17(2)14(8-12)22-17)19-16(20)13-5-7-18(3)15(9-13)23-18/h11-15H,4-10H2,1-3H3,(H,19,20)
InChIKeyGJBKMLUBXCWODN-UHFFFAOYSA-N
XLogP2.38
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide with MolForge

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Related Compounds

6-methyl-N-[1-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]ethylsulfanyl]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide
CID 89059523
3-[(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]butyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59364591
6-methyl-N-(1-methylsulfonylethyl)-7-oxabicyclo[4.1.0]heptane-3-carboxamide
CID 89277229
3-O-[[(1S)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl] 1-O-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] propanedioate
CID 89141397
(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 5-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxopentanoate
CID 143221226
bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
CID 58908108
[2-hydroxy-3-[(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]propyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59364606
amino (1R,3R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 159481810
6-methyl-N-[[5-[[(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)amino]methyl]thiophen-2-yl]methyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide
CID 59364589
1-O-[[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxolan-4-yl]methyl] 3-O-[[(6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl] 2-methylpropanedioate
CID 89324584
3-methoxybutyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59735639
7-methyloctyl 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 143250428

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
The IUPAC name of 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide (CID 89059492) is 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
The canonical SMILES for 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide is CC(NC(=O)C1CCC2(C)OC2C1)OCC1CCC2(C)OC2C1.
What is the InChIKey of 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
The InChIKey is GJBKMLUBXCWODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-11(21-10-12-4-6-17(2)14(8-12)22-17)19-16(20)13-5-7-18(3)15(9-13)23-18/h11-15H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide?
6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide has a molecular weight of 323.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxamide is sourced from PubChem (CID 89059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).