N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide

C19H21N3O9 — CID 136908103

IUPACN-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2c(O)cc(OC)c([N+](=O)[O-])c2OC)cc(OC)c1OC
InChIInChI=1S/C19H21N3O9/c1-27-13-8-12(23)11(17(30-4)16(13)22(25)26)9-20-21-19(24)10-6-14(28-2)18(31-5)15(7-10)29-3/h6-9,23H,1-5H3,(H,21,24)/b20-9-
InChIKeyKVMJNRAUBKUYOI-UKWGHVSLSA-N
MW435.39 g/mol
LogP2.11
Rot. Bonds9

About N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide

N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 136908103) has the molecular formula C19H21N3O9 and a molecular weight of 435.39 g/mol. Its IUPAC name is N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID136908103
Molecular FormulaC19H21N3O9
Molecular Weight435.39 g/mol
Exact Mass435.13
IUPAC NameN-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2c(O)cc(OC)c([N+](=O)[O-])c2OC)cc(OC)c1OC
InChIInChI=1S/C19H21N3O9/c1-27-13-8-12(23)11(17(30-4)16(13)22(25)26)9-20-21-19(24)10-6-14(28-2)18(31-5)15(7-10)29-3/h6-9,23H,1-5H3,(H,21,24)/b20-9-
InChIKeyKVMJNRAUBKUYOI-UKWGHVSLSA-N
XLogP2.11
TPSA150.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
3,4,5-trimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 5031020
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
3,4,5-trimethoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3317140
3,4,5-trimethoxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 2592613
3,4,5-trimethoxy-N-(propylideneamino)benzamide
CID 3317143
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
N-[(Z)-benzylideneamino]-3,4,5-trimethoxy-2-nitrobenzamide
CID 5434191
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 135560845
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide (CID 136908103) is N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N/N=C\c2c(O)cc(OC)c([N+](=O)[O-])c2OC)cc(OC)c1OC.
What is the InChIKey of N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is KVMJNRAUBKUYOI-UKWGHVSLSA-N. The full InChI is InChI=1S/C19H21N3O9/c1-27-13-8-12(23)11(17(30-4)16(13)22(25)26)9-20-21-19(24)10-6-14(28-2)18(31-5)15(7-10)29-3/h6-9,23H,1-5H3,(H,21,24)/b20-9-.
What are the key properties of N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 435.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 136908103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).