2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide

C16H15N3O6 — CID 3723324

IUPAC2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1c(O)ccc(C=NNC(=O)C(O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O6/c1-25-15-12(20)8-7-11(13(15)19(23)24)9-17-18-16(22)14(21)10-5-3-2-4-6-10/h2-9,14,20-21H,1H3,(H,18,22)
InChIKeyKQVNUQIUOQERQC-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.49
Rot. Bonds6

About 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide

2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 3723324) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID3723324
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1c(O)ccc(C=NNC(=O)C(O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O6/c1-25-15-12(20)8-7-11(13(15)19(23)24)9-17-18-16(22)14(21)10-5-3-2-4-6-10/h2-9,14,20-21H,1H3,(H,18,22)
InChIKeyKQVNUQIUOQERQC-UHFFFAOYSA-N
XLogP1.49
TPSA134.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 3723324) is 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide is COc1c(O)ccc(C=NNC(=O)C(O)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is KQVNUQIUOQERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-25-15-12(20)8-7-11(13(15)19(23)24)9-17-18-16(22)14(21)10-5-3-2-4-6-10/h2-9,14,20-21H,1H3,(H,18,22).
What are the key properties of 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide?
2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 345.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3723324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).