N-(2-methoxyethyl)-6-oxopyran-3-carboxamide

C9H11NO4 — CID 110697442

IUPACN-(2-methoxyethyl)-6-oxopyran-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C9H11NO4/c1-13-5-4-10-9(12)7-2-3-8(11)14-6-7/h2-3,6H,4-5H2,1H3,(H,10,12)
InChIKeyQPPUBFIFMOTJFK-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.02
Rot. Bonds4

About N-(2-methoxyethyl)-6-oxopyran-3-carboxamide

N-(2-methoxyethyl)-6-oxopyran-3-carboxamide (PubChem CID 110697442) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxopyran-3-carboxamide
PubChem CID110697442
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC NameN-(2-methoxyethyl)-6-oxopyran-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C9H11NO4/c1-13-5-4-10-9(12)7-2-3-8(11)14-6-7/h2-3,6H,4-5H2,1H3,(H,10,12)
InChIKeyQPPUBFIFMOTJFK-UHFFFAOYSA-N
XLogP0.02
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-6-oxopyran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
CID 62675301
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
N-tert-butyl-6-oxopyran-3-carboxamide
CID 110697500
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(2-methoxyethyl)-4-(3-methylpentan-3-yl)benzamide
CID 70934716
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxopyran-3-carboxamide (CID 110697442) is N-(2-methoxyethyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxopyran-3-carboxamide is COCCNC(=O)c1ccc(=O)oc1.
What is the InChIKey of N-(2-methoxyethyl)-6-oxopyran-3-carboxamide?
The InChIKey is QPPUBFIFMOTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-5-4-10-9(12)7-2-3-8(11)14-6-7/h2-3,6H,4-5H2,1H3,(H,10,12).
What are the key properties of N-(2-methoxyethyl)-6-oxopyran-3-carboxamide?
N-(2-methoxyethyl)-6-oxopyran-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110697442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).