N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

C20H19NO4 — CID 134010201

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C20H19NO4/c1-3-24-15-10-8-14(9-11-15)13(2)21-20(23)19-12-17(22)16-6-4-5-7-18(16)25-19/h4-13H,3H2,1-2H3,(H,21,23)
InChIKeyXEYXVJABLRJBTK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 134010201) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID134010201
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C20H19NO4/c1-3-24-15-10-8-14(9-11-15)13(2)21-20(23)19-12-17(22)16-6-4-5-7-18(16)25-19/h4-13H,3H2,1-2H3,(H,21,23)
InChIKeyXEYXVJABLRJBTK-UHFFFAOYSA-N
XLogP3.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
CID 3042361
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 42969814
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (CID 134010201) is N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is CCOc1ccc(C(C)NC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is XEYXVJABLRJBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-15-10-8-14(9-11-15)13(2)21-20(23)19-12-17(22)16-6-4-5-7-18(16)25-19/h4-13H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 134010201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).