N-ethyl-N-methyloxane-4-carboxamide

C9H17NO2 — CID 58376362

IUPACN-ethyl-N-methyloxane-4-carboxamide
SMILESCCN(C)C(=O)C1CCOCC1
InChIInChI=1S/C9H17NO2/c1-3-10(2)9(11)8-4-6-12-7-5-8/h8H,3-7H2,1-2H3
InChIKeyJGNHHYGCSYWIFG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About N-ethyl-N-methyloxane-4-carboxamide

N-ethyl-N-methyloxane-4-carboxamide (PubChem CID 58376362) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyloxane-4-carboxamide
PubChem CID58376362
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-N-methyloxane-4-carboxamide
SMILESCCN(C)C(=O)C1CCOCC1
InChIInChI=1S/C9H17NO2/c1-3-10(2)9(11)8-4-6-12-7-5-8/h8H,3-7H2,1-2H3
InChIKeyJGNHHYGCSYWIFG-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-methyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyloxane-4-carboxamide?
The IUPAC name of N-ethyl-N-methyloxane-4-carboxamide (CID 58376362) is N-ethyl-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-ethyl-N-methyloxane-4-carboxamide?
The canonical SMILES for N-ethyl-N-methyloxane-4-carboxamide is CCN(C)C(=O)C1CCOCC1.
What is the InChIKey of N-ethyl-N-methyloxane-4-carboxamide?
The InChIKey is JGNHHYGCSYWIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10(2)9(11)8-4-6-12-7-5-8/h8H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-methyloxane-4-carboxamide?
N-ethyl-N-methyloxane-4-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyloxane-4-carboxamide is sourced from PubChem (CID 58376362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).