N,N-diethyl-2-methyl-2H-oxete-4-carboxamide

C9H15NO2 — CID 91548393

IUPACN,N-diethyl-2-methyl-2H-oxete-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC(C)O1
InChIInChI=1S/C9H15NO2/c1-4-10(5-2)9(11)8-6-7(3)12-8/h6-7H,4-5H2,1-3H3
InChIKeyLONYVTVRVXLNNS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds3

About N,N-diethyl-2-methyl-2H-oxete-4-carboxamide

N,N-diethyl-2-methyl-2H-oxete-4-carboxamide (PubChem CID 91548393) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-2H-oxete-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-2H-oxete-4-carboxamide
PubChem CID91548393
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN,N-diethyl-2-methyl-2H-oxete-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC(C)O1
InChIInChI=1S/C9H15NO2/c1-4-10(5-2)9(11)8-6-7(3)12-8/h6-7H,4-5H2,1-3H3
InChIKeyLONYVTVRVXLNNS-UHFFFAOYSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-2H-oxete-4-carboxamide
CID 91411197
N-ethyl-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 130694234
N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 130727660

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-2H-oxete-4-carboxamide?
The IUPAC name of N,N-diethyl-2-methyl-2H-oxete-4-carboxamide (CID 91548393) is N,N-diethyl-2-methyl-2H-oxete-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methyl-2H-oxete-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-methyl-2H-oxete-4-carboxamide is CCN(CC)C(=O)C1=CC(C)O1.
What is the InChIKey of N,N-diethyl-2-methyl-2H-oxete-4-carboxamide?
The InChIKey is LONYVTVRVXLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-10(5-2)9(11)8-6-7(3)12-8/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-2H-oxete-4-carboxamide?
N,N-diethyl-2-methyl-2H-oxete-4-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-2H-oxete-4-carboxamide is sourced from PubChem (CID 91548393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).