N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide

C21H20N2O4 — CID 19208685

IUPACN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c1
InChIInChI=1S/C21H20N2O4/c1-25-16-7-5-8-17(12-16)27-14-21(24)23-22-13-19-18-9-4-3-6-15(18)10-11-20(19)26-2/h3-13H,14H2,1-2H3,(H,23,24)/b22-13+
InChIKeyTXRXORAAKWORHU-LPYMAVHISA-N
MW364.40 g/mol
LogP3.39
Rot. Bonds7

About N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide (PubChem CID 19208685) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
PubChem CID19208685
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c1
InChIInChI=1S/C21H20N2O4/c1-25-16-7-5-8-17(12-16)27-14-21(24)23-22-13-19-18-9-4-3-6-15(18)10-11-20(19)26-2/h3-13H,14H2,1-2H3,(H,23,24)/b22-13+
InChIKeyTXRXORAAKWORHU-LPYMAVHISA-N
XLogP3.39
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.39
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-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
[1-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 3566599
[1-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3422848
[1-[[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3361671
[1-[[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3563454
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide (CID 19208685) is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c1.
What is the InChIKey of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is TXRXORAAKWORHU-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-16-7-5-8-17(12-16)27-14-21(24)23-22-13-19-18-9-4-3-6-15(18)10-11-20(19)26-2/h3-13H,14H2,1-2H3,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide?
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 364.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 19208685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).