N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide

C14H25NO2 — CID 59720788

IUPACN,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide
SMILESCCN(CC)C(=O)CCC1CCC2(C)OC2C1
InChIInChI=1S/C14H25NO2/c1-4-15(5-2)13(16)7-6-11-8-9-14(3)12(10-11)17-14/h11-12H,4-10H2,1-3H3
InChIKeyHTFHVBYUTVCYCK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds5

About N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide

N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide (PubChem CID 59720788) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide
PubChem CID59720788
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide
SMILESCCN(CC)C(=O)CCC1CCC2(C)OC2C1
InChIInChI=1S/C14H25NO2/c1-4-15(5-2)13(16)7-6-11-8-9-14(3)12(10-11)17-14/h11-12H,4-10H2,1-3H3
InChIKeyHTFHVBYUTVCYCK-UHFFFAOYSA-N
XLogP2.59
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide?
The IUPAC name of N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide (CID 59720788) is N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide?
The canonical SMILES for N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide is CCN(CC)C(=O)CCC1CCC2(C)OC2C1.
What is the InChIKey of N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide?
The InChIKey is HTFHVBYUTVCYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-15(5-2)13(16)7-6-11-8-9-14(3)12(10-11)17-14/h11-12H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide?
N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propanamide is sourced from PubChem (CID 59720788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).