N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide

C21H21N3O2 — CID 773201

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCN(C)c1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-24(2)18-12-10-16(11-13-18)14-22-23-21(25)15-26-20-9-5-7-17-6-3-4-8-19(17)20/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyLMZMTMSSQUWBHP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.43
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 773201) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID773201
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCN(C)c1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-24(2)18-12-10-16(11-13-18)14-22-23-21(25)15-26-20-9-5-7-17-6-3-4-8-19(17)20/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyLMZMTMSSQUWBHP-UHFFFAOYSA-N
XLogP3.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4633368
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 5426420
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 41271374
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 126382769

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide (CID 773201) is N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide is CN(C)c1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is LMZMTMSSQUWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(2)18-12-10-16(11-13-18)14-22-23-21(25)15-26-20-9-5-7-17-6-3-4-8-19(17)20/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 347.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 773201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).