N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide

C16H15N3O5 — CID 3148314

IUPACN-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1cc(C=NNC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15N3O5/c1-24-14-8-12(7-13(16(14)21)19(22)23)10-17-18-15(20)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,18,20)
InChIKeyVGYJWLIUJPWNLE-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.00
Rot. Bonds6

About N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide

N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 3148314) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID3148314
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1cc(C=NNC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15N3O5/c1-24-14-8-12(7-13(16(14)21)19(22)23)10-17-18-15(20)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,18,20)
InChIKeyVGYJWLIUJPWNLE-UHFFFAOYSA-N
XLogP2.00
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 3148314) is N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide is COc1cc(C=NNC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is VGYJWLIUJPWNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-24-14-8-12(7-13(16(14)21)19(22)23)10-17-18-15(20)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,18,20).
What are the key properties of N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 329.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3148314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).