2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide

C27H30N2O3 — CID 19189783

IUPAC2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N2O3/c1-4-18-31-24-14-10-21(11-15-24)19-28-29-26(30)20-32-25-16-12-23(13-17-25)27(2,3)22-8-6-5-7-9-22/h5-17,19H,4,18,20H2,1-3H3,(H,29,30)/b28-19+
InChIKeyMIMQCHYWPFUYBF-TURZUDJPSA-N
MW430.55 g/mol
LogP5.33
Rot. Bonds10

About 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide

2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 19189783) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
PubChem CID19189783
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N2O3/c1-4-18-31-24-14-10-21(11-15-24)19-28-29-26(30)20-32-25-16-12-23(13-17-25)27(2,3)22-8-6-5-7-9-22/h5-17,19H,4,18,20H2,1-3H3,(H,29,30)/b28-19+
InChIKeyMIMQCHYWPFUYBF-TURZUDJPSA-N
XLogP5.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.33
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

N-[(4-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604431
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176119
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085
N-[(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604432
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6298217
2-(2-ethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182513
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176108
N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126003683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide (CID 19189783) is 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is MIMQCHYWPFUYBF-TURZUDJPSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-4-18-31-24-14-10-21(11-15-24)19-28-29-26(30)20-32-25-16-12-23(13-17-25)27(2,3)22-8-6-5-7-9-22/h5-17,19H,4,18,20H2,1-3H3,(H,29,30)/b28-19+.
What are the key properties of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 430.55 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19189783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).