2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C17H17N3O4 — CID 137275737

IUPAC2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1
InChIInChI=1S/C17H17N3O4/c1-11-3-4-13(12(2)7-11)9-17(22)19-18-10-14-8-15(20(23)24)5-6-16(14)21/h3-8,10,21H,9H2,1-2H3,(H,19,22)/b18-10-
InChIKeySTUFSXBBFFZLGW-ZDLGFXPLSA-N
MW327.34 g/mol
LogP2.61
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 137275737) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID137275737
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1
InChIInChI=1S/C17H17N3O4/c1-11-3-4-13(12(2)7-11)9-17(22)19-18-10-14-8-15(20(23)24)5-6-16(14)21/h3-8,10,21H,9H2,1-2H3,(H,19,22)/b18-10-
InChIKeySTUFSXBBFFZLGW-ZDLGFXPLSA-N
XLogP2.61
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 137275737) is 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Cc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is STUFSXBBFFZLGW-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-3-4-13(12(2)7-11)9-17(22)19-18-10-14-8-15(20(23)24)5-6-16(14)21/h3-8,10,21H,9H2,1-2H3,(H,19,22)/b18-10-.
What are the key properties of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 137275737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).