2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide

C22H22N2O3 — CID 6129551

IUPAC2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2c(C)cccc2C)c2ccccc12
InChIInChI=1S/C22H22N2O3/c1-15-7-6-8-16(2)22(15)27-14-21(25)24-23-13-17-11-12-20(26-3)19-10-5-4-9-18(17)19/h4-13H,14H2,1-3H3,(H,24,25)/b23-13-
InChIKeyOFFTXKPMMAZMEJ-QRVIBDJDSA-N
MW362.43 g/mol
LogP3.99
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 6129551) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID6129551
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2c(C)cccc2C)c2ccccc12
InChIInChI=1S/C22H22N2O3/c1-15-7-6-8-16(2)22(15)27-14-21(25)24-23-13-17-11-12-20(26-3)19-10-5-4-9-18(17)19/h4-13H,14H2,1-3H3,(H,24,25)/b23-13-
InChIKeyOFFTXKPMMAZMEJ-QRVIBDJDSA-N
XLogP3.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.99
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'}

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide
CID 4980965
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5432415
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3350513
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide (CID 6129551) is 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)COc2c(C)cccc2C)c2ccccc12.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is OFFTXKPMMAZMEJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-7-6-8-16(2)22(15)27-14-21(25)24-23-13-17-11-12-20(26-3)19-10-5-4-9-18(17)19/h4-13H,14H2,1-3H3,(H,24,25)/b23-13-.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 6129551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).