N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C11H15NO4 — CID 110699272

IUPACN-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOCCNC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C11H15NO4/c1-7-6-9(13)16-8(2)10(7)11(14)12-4-5-15-3/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyXSWFXZDZQCVHGO-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.63
Rot. Bonds4

About N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 110699272) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID110699272
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOCCNC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C11H15NO4/c1-7-6-9(13)16-8(2)10(7)11(14)12-4-5-15-3/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyXSWFXZDZQCVHGO-UHFFFAOYSA-N
XLogP0.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3242769
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 3667995
2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide
CID 3773292
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429010
N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699384
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 110699272) is N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is COCCNC(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is XSWFXZDZQCVHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-6-9(13)16-8(2)10(7)11(14)12-4-5-15-3/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 225.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110699272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).