N-ethoxy-2-methyloxane-4-carboxamide

C9H17NO3 — CID 131133773

IUPACN-ethoxy-2-methyloxane-4-carboxamide
SMILESCCONC(=O)C1CCOC(C)C1
InChIInChI=1S/C9H17NO3/c1-3-13-10-9(11)8-4-5-12-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyIDWRNSGQQLCMCP-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.87
Rot. Bonds3

About N-ethoxy-2-methyloxane-4-carboxamide

N-ethoxy-2-methyloxane-4-carboxamide (PubChem CID 131133773) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-ethoxy-2-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2-methyloxane-4-carboxamide
PubChem CID131133773
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-ethoxy-2-methyloxane-4-carboxamide
SMILESCCONC(=O)C1CCOC(C)C1
InChIInChI=1S/C9H17NO3/c1-3-13-10-9(11)8-4-5-12-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyIDWRNSGQQLCMCP-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methyloxane-4-carboxamide?
The IUPAC name of N-ethoxy-2-methyloxane-4-carboxamide (CID 131133773) is N-ethoxy-2-methyloxane-4-carboxamide.
What is the SMILES notation for N-ethoxy-2-methyloxane-4-carboxamide?
The canonical SMILES for N-ethoxy-2-methyloxane-4-carboxamide is CCONC(=O)C1CCOC(C)C1.
What is the InChIKey of N-ethoxy-2-methyloxane-4-carboxamide?
The InChIKey is IDWRNSGQQLCMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-10-9(11)8-4-5-12-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-ethoxy-2-methyloxane-4-carboxamide?
N-ethoxy-2-methyloxane-4-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methyloxane-4-carboxamide is sourced from PubChem (CID 131133773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).