7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide

C20H19NO4 — CID 5262694

IUPAC7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(CC)cc3)c(=O)oc2c1
InChIInChI=1S/C20H19NO4/c1-3-13-5-8-15(9-6-13)21-19(22)17-11-14-7-10-16(24-4-2)12-18(14)25-20(17)23/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyATCZYQRYVUETLS-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.01
Rot. Bonds5

About 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide

7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 5262694) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
PubChem CID5262694
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(CC)cc3)c(=O)oc2c1
InChIInChI=1S/C20H19NO4/c1-3-13-5-8-15(9-6-13)21-19(22)17-11-14-7-10-16(24-4-2)12-18(14)25-20(17)23/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyATCZYQRYVUETLS-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-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171913252
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide (CID 5262694) is 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide is CCOc1ccc2cc(C(=O)Nc3ccc(CC)cc3)c(=O)oc2c1.
What is the InChIKey of 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is ATCZYQRYVUETLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-13-5-8-15(9-6-13)21-19(22)17-11-14-7-10-16(24-4-2)12-18(14)25-20(17)23/h5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
7-ethoxy-N-(4-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 7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).