8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide

C20H19NO4 — CID 16645381

IUPAC8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccccc3CC)c(=O)oc12
InChIInChI=1S/C20H19NO4/c1-3-13-8-5-6-10-16(13)21-19(22)15-12-14-9-7-11-17(24-4-2)18(14)25-20(15)23/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyXAKGBCWCKMUQFD-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.01
Rot. Bonds5

About 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide

8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 16645381) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
PubChem CID16645381
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccccc3CC)c(=O)oc12
InChIInChI=1S/C20H19NO4/c1-3-13-8-5-6-10-16(13)21-19(22)15-12-14-9-7-11-17(24-4-2)18(14)25-20(15)23/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyXAKGBCWCKMUQFD-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570
3-acetyl-8-ethoxychromen-2-one
CID 3266617
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide (CID 16645381) is 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccccc3CC)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is XAKGBCWCKMUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-13-8-5-6-10-16(13)21-19(22)15-12-14-9-7-11-17(24-4-2)18(14)25-20(15)23/h5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide?
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16645381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).