3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide

C26H23NO6 — CID 55978677

IUPAC3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1OCCOc1ccccc1
InChIInChI=1S/C26H23NO6/c1-2-30-24-17-19(8-11-23(24)32-15-14-31-21-6-4-3-5-7-21)26(29)27-20-10-12-22-18(16-20)9-13-25(28)33-22/h3-13,16-17H,2,14-15H2,1H3,(H,27,29)
InChIKeyICGCCMXRWYEPPR-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.90
Rot. Bonds9

About 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide

3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide (PubChem CID 55978677) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide
PubChem CID55978677
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Name3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1OCCOc1ccccc1
InChIInChI=1S/C26H23NO6/c1-2-30-24-17-19(8-11-23(24)32-15-14-31-21-6-4-3-5-7-21)26(29)27-20-10-12-22-18(16-20)9-13-25(28)33-22/h3-13,16-17H,2,14-15H2,1H3,(H,27,29)
InChIKeyICGCCMXRWYEPPR-UHFFFAOYSA-N
XLogP4.90
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-ethoxy-N-(2-oxochromen-6-yl)benzamide
CID 40607334
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide
CID 60599177
3-chloro-5-ethoxy-N-(2-oxochromen-6-yl)-4-propoxybenzamide
CID 52688828
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
4-butoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 3518185
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
CID 42297313
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide (CID 55978677) is 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1OCCOc1ccccc1.
What is the InChIKey of 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide?
The InChIKey is ICGCCMXRWYEPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-2-30-24-17-19(8-11-23(24)32-15-14-31-21-6-4-3-5-7-21)26(29)27-20-10-12-22-18(16-20)9-13-25(28)33-22/h3-13,16-17H,2,14-15H2,1H3,(H,27,29).
What are the key properties of 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide?
3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide has a molecular weight of 445.47 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 55978677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).