N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide

C17H17N3O7 — CID 135717010

IUPACN-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c(OC)c1
InChIInChI=1S/C17H17N3O7/c1-25-11-4-5-13(15(8-11)27-3)17(22)19-18-9-10-6-12(26-2)7-14(16(10)21)20(23)24/h4-9,21H,1-3H3,(H,19,22)/b18-9+
InChIKeyMKUWPQPVXBKVLI-GIJQJNRQSA-N
MW375.34 g/mol
LogP2.09
Rot. Bonds7

About N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide

N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 135717010) has the molecular formula C17H17N3O7 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
PubChem CID135717010
Molecular FormulaC17H17N3O7
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC NameN-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c(OC)c1
InChIInChI=1S/C17H17N3O7/c1-25-11-4-5-13(15(8-11)27-3)17(22)19-18-9-10-6-12(26-2)7-14(16(10)21)20(23)24/h4-9,21H,1-3H3,(H,19,22)/b18-9+
InChIKeyMKUWPQPVXBKVLI-GIJQJNRQSA-N
XLogP2.09
TPSA132.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135606424
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]thiourea
CID 5219276
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
2,4-dimethoxy-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6071759
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 135614429
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
2-(2,5-dimethylphenyl)-N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 137180756
N-[(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3913272
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135613710

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide (CID 135717010) is N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c(OC)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is MKUWPQPVXBKVLI-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H17N3O7/c1-25-11-4-5-13(15(8-11)27-3)17(22)19-18-9-10-6-12(26-2)7-14(16(10)21)20(23)24/h4-9,21H,1-3H3,(H,19,22)/b18-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide?
N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 375.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 135717010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).