N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide

C17H19NO3 — CID 14128614

IUPACN-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)oc(C)c(C)c1=O
InChIInChI=1S/C17H19NO3/c1-5-13-8-6-7-9-14(13)18-17(20)15-12(4)21-11(3)10(2)16(15)19/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyWCBKUVFEYYKXDT-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.38
Rot. Bonds3

About N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide

N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide (PubChem CID 14128614) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
PubChem CID14128614
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)oc(C)c(C)c1=O
InChIInChI=1S/C17H19NO3/c1-5-13-8-6-7-9-14(13)18-17(20)15-12(4)21-11(3)10(2)16(15)19/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyWCBKUVFEYYKXDT-UHFFFAOYSA-N
XLogP3.38
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylphenyl)-2,5,6-trimethyl-4-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

N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-benzylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8023443
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209476
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide
CID 139794915
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide (CID 14128614) is N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide is CCc1ccccc1NC(=O)c1c(C)oc(C)c(C)c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide?
The InChIKey is WCBKUVFEYYKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-5-13-8-6-7-9-14(13)18-17(20)15-12(4)21-11(3)10(2)16(15)19/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide?
N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide is sourced from PubChem (CID 14128614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).