N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide

C21H25NO3 — CID 14128683

IUPACN-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)oc2c(c1=O)CCCC2
InChIInChI=1S/C21H25NO3/c1-4-14-9-8-10-15(5-2)19(14)22-21(24)18-13(3)25-17-12-7-6-11-16(17)20(18)23/h8-10H,4-7,11-12H2,1-3H3,(H,22,24)
InChIKeyNEOOAXHBQRFIFY-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.20
Rot. Bonds4

About N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide

N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide (PubChem CID 14128683) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
PubChem CID14128683
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)oc2c(c1=O)CCCC2
InChIInChI=1S/C21H25NO3/c1-4-14-9-8-10-15(5-2)19(14)22-21(24)18-13(3)25-17-12-7-6-11-16(17)20(18)23/h8-10H,4-7,11-12H2,1-3H3,(H,22,24)
InChIKeyNEOOAXHBQRFIFY-UHFFFAOYSA-N
XLogP4.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-iodophenyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
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N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
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4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
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N-[2-ethyl-6-(oxiran-2-ylmethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide (CID 14128683) is N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(C)oc2c(c1=O)CCCC2.
What is the InChIKey of N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide?
The InChIKey is NEOOAXHBQRFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-14-9-8-10-15(5-2)19(14)22-21(24)18-13(3)25-17-12-7-6-11-16(17)20(18)23/h8-10H,4-7,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide?
N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide is sourced from PubChem (CID 14128683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).