2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

C21H20N2O2 — CID 5426214

IUPAC2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cccc3ccccc23)c1C
InChIInChI=1S/C21H20N2O2/c1-15-7-5-12-20(16(15)2)25-14-21(24)23-22-13-18-10-6-9-17-8-3-4-11-19(17)18/h3-13H,14H2,1-2H3,(H,23,24)/b22-13-
InChIKeyMWEAVTFVPWATPR-XKZIYDEJSA-N
MW332.40 g/mol
LogP3.99
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 5426214) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID5426214
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cccc3ccccc23)c1C
InChIInChI=1S/C21H20N2O2/c1-15-7-5-12-20(16(15)2)25-14-21(24)23-22-13-18-10-6-9-17-8-3-4-11-19(17)18/h3-13H,14H2,1-2H3,(H,23,24)/b22-13-
InChIKeyMWEAVTFVPWATPR-XKZIYDEJSA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-(2,3-dimethylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 957917
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
CID 19190225
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5426190
2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5229956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (CID 5426214) is 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C\c2cccc3ccccc23)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is MWEAVTFVPWATPR-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-7-5-12-20(16(15)2)25-14-21(24)23-22-13-18-10-6-9-17-8-3-4-11-19(17)18/h3-13H,14H2,1-2H3,(H,23,24)/b22-13-.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 5426214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).