N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide

C17H17N3O6 — CID 110505855

IUPACN-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cc(OC)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6/c1-24-14-7-5-4-6-12(14)17(21)19-18-10-11-8-13(20(22)23)16(26-3)15(9-11)25-2/h4-10H,1-3H3,(H,19,21)/b18-10+
InChIKeyNCSAACJCYYULSU-VCHYOVAHSA-N
MW359.34 g/mol
LogP2.38
Rot. Bonds7

About N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide

N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 110505855) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID110505855
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cc(OC)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6/c1-24-14-7-5-4-6-12(14)17(21)19-18-10-11-8-13(20(22)23)16(26-3)15(9-11)25-2/h4-10H,1-3H3,(H,19,21)/b18-10+
InChIKeyNCSAACJCYYULSU-VCHYOVAHSA-N
XLogP2.38
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
CID 136844919
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 110509500
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
2-fluoro-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135583258
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137045197
4-hydroxy-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110509401
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
N-[(Z)-benzylideneamino]-3,4,5-trimethoxy-2-nitrobenzamide
CID 5434191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide (CID 110505855) is N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C/c1cc(OC)c(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is NCSAACJCYYULSU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-24-14-7-5-4-6-12(14)17(21)19-18-10-11-8-13(20(22)23)16(26-3)15(9-11)25-2/h4-10H,1-3H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 359.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 110505855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).