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

C17H17N3O6 — CID 4631028

IUPACN-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O6/c1-24-13-6-4-11(5-7-13)17(21)19-18-10-12-8-15(25-2)16(26-3)9-14(12)20(22)23/h4-10H,1-3H3,(H,19,21)
InChIKeyHTINDVXMTRBPEN-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.38
Rot. Bonds7

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

N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 4631028) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
PubChem CID4631028
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O6/c1-24-13-6-4-11(5-7-13)17(21)19-18-10-12-8-15(25-2)16(26-3)9-14(12)20(22)23/h4-10H,1-3H3,(H,19,21)
InChIKeyHTINDVXMTRBPEN-UHFFFAOYSA-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'}

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Related Compounds

N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 6169330
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
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
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211151
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 137122813
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518521
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate
CID 126233873

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide (CID 4631028) is N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)NN=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is HTINDVXMTRBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-24-13-6-4-11(5-7-13)17(21)19-18-10-12-8-15(25-2)16(26-3)9-14(12)20(22)23/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide?
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-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-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 4631028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).