3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide

C21H20N2O4 — CID 6910456

IUPAC3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-25-18-11-17(12-19(26-2)20(18)27-3)21(24)23-22-13-14-8-9-15-6-4-5-7-16(15)10-14/h4-13H,1-3H3,(H,23,24)/b22-13+
InChIKeyRJSPQNXJGDPTBE-LPYMAVHISA-N
MW364.40 g/mol
LogP3.63
Rot. Bonds6

About 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide

3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide (PubChem CID 6910456) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
PubChem CID6910456
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-25-18-11-17(12-19(26-2)20(18)27-3)21(24)23-22-13-14-8-9-15-6-4-5-7-16(15)10-14/h4-13H,1-3H3,(H,23,24)/b22-13+
InChIKeyRJSPQNXJGDPTBE-LPYMAVHISA-N
XLogP3.63
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6162958
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 137101903
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 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide (CID 6910456) is 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide is COc1cc(C(=O)N/N=C/c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
The InChIKey is RJSPQNXJGDPTBE-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-18-11-17(12-19(26-2)20(18)27-3)21(24)23-22-13-14-8-9-15-6-4-5-7-16(15)10-14/h4-13H,1-3H3,(H,23,24)/b22-13+.
What are the key properties of 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide has a molecular weight of 364.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6910456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).