5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

C19H18N2O5 — CID 18109116

IUPAC5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc2oc(C(=O)NNC(=O)c3ccccc3O)c(C)c2c1
InChIInChI=1S/C19H18N2O5/c1-3-25-12-8-9-16-14(10-12)11(2)17(26-16)19(24)21-20-18(23)13-6-4-5-7-15(13)22/h4-10,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNDCJTNOPIXBSTP-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.92
Rot. Bonds4

About 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 18109116) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID18109116
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc2oc(C(=O)NNC(=O)c3ccccc3O)c(C)c2c1
InChIInChI=1S/C19H18N2O5/c1-3-25-12-8-9-16-14(10-12)11(2)17(26-16)19(24)21-20-18(23)13-6-4-5-7-15(13)22/h4-10,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNDCJTNOPIXBSTP-UHFFFAOYSA-N
XLogP2.92
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (CID 18109116) is 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is CCOc1ccc2oc(C(=O)NNC(=O)c3ccccc3O)c(C)c2c1.
What is the InChIKey of 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is NDCJTNOPIXBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-25-12-8-9-16-14(10-12)11(2)17(26-16)19(24)21-20-18(23)13-6-4-5-7-15(13)22/h4-10,22H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 354.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N'-(2-hydroxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 18109116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).