N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide

C24H18N2O5 — CID 137189789

IUPACN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c(O)c1
InChIInChI=1S/C24H18N2O5/c1-30-18-11-10-17(20(27)12-18)14-25-26-24(29)16-8-6-15(7-9-16)23-13-21(28)19-4-2-3-5-22(19)31-23/h2-14,27H,1H3,(H,26,29)/b25-14+
InChIKeySTTPRWOAXTXQQN-AFUMVMLFSA-N
MW414.42 g/mol
LogP3.94
Rot. Bonds5

About N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide (PubChem CID 137189789) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
PubChem CID137189789
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c(O)c1
InChIInChI=1S/C24H18N2O5/c1-30-18-11-10-17(20(27)12-18)14-25-26-24(29)16-8-6-15(7-9-16)23-13-21(28)19-4-2-3-5-22(19)31-23/h2-14,27H,1H3,(H,26,29)/b25-14+
InChIKeySTTPRWOAXTXQQN-AFUMVMLFSA-N
XLogP3.94
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide (CID 137189789) is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide is COc1ccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
The InChIKey is STTPRWOAXTXQQN-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-30-18-11-10-17(20(27)12-18)14-25-26-24(29)16-8-6-15(7-9-16)23-13-21(28)19-4-2-3-5-22(19)31-23/h2-14,27H,1H3,(H,26,29)/b25-14+.
What are the key properties of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide has a molecular weight of 414.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 137189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).