N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide

C21H26N2O2 — CID 19182623

IUPACN-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)19-8-6-18(7-9-19)12-22-23-21(24)13-25-20-11-15(3)10-16(4)17(20)5/h6-12,14H,13H2,1-5H3,(H,23,24)/b22-12+
InChIKeyFGYBJBFDCBKWQA-WSDLNYQXSA-N
MW338.45 g/mol
LogP4.26
Rot. Bonds6

About N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide

N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 19182623) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID19182623
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)19-8-6-18(7-9-19)12-22-23-21(24)13-25-20-11-15(3)10-16(4)17(20)5/h6-12,14H,13H2,1-5H3,(H,23,24)/b22-12+
InChIKeyFGYBJBFDCBKWQA-WSDLNYQXSA-N
XLogP4.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.26
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

N-[(4-butoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4180161
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3689638
2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588917
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
N-[(4-ethylphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5189524
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230
[4-[(Z)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6378500
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420731
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide (CID 19182623) is N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is FGYBJBFDCBKWQA-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)19-8-6-18(7-9-19)12-22-23-21(24)13-25-20-11-15(3)10-16(4)17(20)5/h6-12,14H,13H2,1-5H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 19182623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).