N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide

C28H25N3O4 — CID 126023867

IUPACN-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C28H25N3O4/c1-34-26-12-5-4-11-25(26)30-28(33)19-35-23-15-13-20(14-16-23)18-29-31-27(32)17-22-9-6-8-21-7-2-3-10-24(21)22/h2-16,18H,17,19H2,1H3,(H,30,33)(H,31,32)/b29-18-
InChIKeyFPLCICZCDUDHPG-MIXAMLLLSA-N
MW467.53 g/mol
LogP4.56
Rot. Bonds9

About N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 126023867) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID126023867
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C28H25N3O4/c1-34-26-12-5-4-11-25(26)30-28(33)19-35-23-15-13-20(14-16-23)18-29-31-27(32)17-22-9-6-8-21-7-2-3-10-24(21)22/h2-16,18H,17,19H2,1H3,(H,30,33)(H,31,32)/b29-18-
InChIKeyFPLCICZCDUDHPG-MIXAMLLLSA-N
XLogP4.56
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
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-benzyl-N'-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832239
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025869
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832293
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
N-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
2,4-dichloro-N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 94833155

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide (CID 126023867) is N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is FPLCICZCDUDHPG-MIXAMLLLSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-34-26-12-5-4-11-25(26)30-28(33)19-35-23-15-13-20(14-16-23)18-29-31-27(32)17-22-9-6-8-21-7-2-3-10-24(21)22/h2-16,18H,17,19H2,1H3,(H,30,33)(H,31,32)/b29-18-.
What are the key properties of N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 467.53 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 126023867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).