N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide

C20H19NO4 — CID 5262710

IUPACN-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc2c1
InChIInChI=1S/C20H19NO4/c1-4-24-15-8-7-14-10-16(20(23)25-18(14)11-15)19(22)21-17-9-12(2)5-6-13(17)3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyZNQXTYDRIFWZQM-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.06
Rot. Bonds4

About N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide

N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide (PubChem CID 5262710) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
PubChem CID5262710
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc2c1
InChIInChI=1S/C20H19NO4/c1-4-24-15-8-7-14-10-16(20(23)25-18(14)11-15)19(22)21-17-9-12(2)5-6-13(17)3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyZNQXTYDRIFWZQM-UHFFFAOYSA-N
XLogP4.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.06
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-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262644
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide (CID 5262710) is N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide is CCOc1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc2c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The InChIKey is ZNQXTYDRIFWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-4-24-15-8-7-14-10-16(20(23)25-18(14)11-15)19(22)21-17-9-12(2)5-6-13(17)3/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).