8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide

C20H27NO4 — CID 25252554

IUPAC8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12
InChIInChI=1S/C20H27NO4/c1-7-24-15-10-8-9-13-11-14(18(23)25-16(13)15)17(22)21-20(5,6)12-19(2,3)4/h8-11H,7,12H2,1-6H3,(H,21,22)
InChIKeyIXEGFDNUBJFADZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.14
Rot. Bonds5

About 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide

8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide (PubChem CID 25252554) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
PubChem CID25252554
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12
InChIInChI=1S/C20H27NO4/c1-7-24-15-10-8-9-13-11-14(18(23)25-16(13)15)17(22)21-20(5,6)12-19(2,3)4/h8-11H,7,12H2,1-6H3,(H,21,22)
InChIKeyIXEGFDNUBJFADZ-UHFFFAOYSA-N
XLogP4.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.14
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

8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-acetyl-8-ethoxychromen-2-one
CID 3266617
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
CID 16645463
8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
CID 146000873
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 2146237
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide (CID 25252554) is 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide is CCOc1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
The InChIKey is IXEGFDNUBJFADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-7-24-15-10-8-9-13-11-14(18(23)25-16(13)15)17(22)21-20(5,6)12-19(2,3)4/h8-11H,7,12H2,1-6H3,(H,21,22).
What are the key properties of 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 25252554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).