N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide

C17H17N3O5 — CID 5370784

IUPACN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O5/c1-11-6-4-5-7-13(11)17(21)19-18-10-12-8-15(24-2)16(25-3)9-14(12)20(22)23/h4-10H,1-3H3,(H,19,21)/b18-10-
InChIKeyBAADNYGNZZRVFA-ZDLGFXPLSA-N
MW343.34 g/mol
LogP2.68
Rot. Bonds6

About N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide

N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide (PubChem CID 5370784) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
PubChem CID5370784
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O5/c1-11-6-4-5-7-13(11)17(21)19-18-10-12-8-15(24-2)16(25-3)9-14(12)20(22)23/h4-10H,1-3H3,(H,19,21)/b18-10-
InChIKeyBAADNYGNZZRVFA-ZDLGFXPLSA-N
XLogP2.68
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518521
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 4631028
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 6169330
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 126037543
2-methoxy-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6042961
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211151
N-[(E)-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methylbenzamide
CID 19061018

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide (CID 5370784) is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide is COc1cc(/C=N\NC(=O)c2ccccc2C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is BAADNYGNZZRVFA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-6-4-5-7-13(11)17(21)19-18-10-12-8-15(24-2)16(25-3)9-14(12)20(22)23/h4-10H,1-3H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide?
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 5370784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).