N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide

C21H26N2O2 — CID 6938758

IUPACN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-15-7-6-8-19(13-15)25-14-20(24)23-22-16(2)17-9-11-18(12-10-17)21(3,4)5/h6-13H,14H2,1-5H3,(H,23,24)/b22-16-
InChIKeyQHRYUPYSRVXRPU-JWGURIENSA-N
MW338.45 g/mol
LogP4.21
Rot. Bonds5

About N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 6938758) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID6938758
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-15-7-6-8-19(13-15)25-14-20(24)23-22-16(2)17-9-11-18(12-10-17)21(3,4)5/h6-13H,14H2,1-5H3,(H,23,24)/b22-16-
InChIKeyQHRYUPYSRVXRPU-JWGURIENSA-N
XLogP4.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.21
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-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide (CID 6938758) is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide is C/C(=N/NC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is QHRYUPYSRVXRPU-JWGURIENSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-6-8-19(13-15)25-14-20(24)23-22-16(2)17-9-11-18(12-10-17)21(3,4)5/h6-13H,14H2,1-5H3,(H,23,24)/b22-16-.
What are the key properties of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 6938758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).