2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide

C27H30N2O2 — CID 54785277

IUPAC2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)N/N=C(\C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-4-20(2)24-17-11-12-18-25(24)31-19-26(30)29-28-21(3)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,20,27H,4,19H2,1-3H3,(H,29,30)/b28-21+
InChIKeyPZCHQAOVMXNRPK-SGWCAAJKSA-N
MW414.55 g/mol
LogP5.90
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide

2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide (PubChem CID 54785277) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
PubChem CID54785277
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)N/N=C(\C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-4-20(2)24-17-11-12-18-25(24)31-19-26(30)29-28-21(3)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,20,27H,4,19H2,1-3H3,(H,29,30)/b28-21+
InChIKeyPZCHQAOVMXNRPK-SGWCAAJKSA-N
XLogP5.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.90
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-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-ethoxyacetamide
CID 54785224
2-(2,4-dichlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785241
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785322
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785246
2-(2-methoxyphenoxy)-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]acetamide
CID 9315778
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
CID 4560808
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide (CID 54785277) is 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide is CCC(C)c1ccccc1OCC(=O)N/N=C(\C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The InChIKey is PZCHQAOVMXNRPK-SGWCAAJKSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-4-20(2)24-17-11-12-18-25(24)31-19-26(30)29-28-21(3)27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-18,20,27H,4,19H2,1-3H3,(H,29,30)/b28-21+.
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide has a molecular weight of 414.55 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide is sourced from PubChem (CID 54785277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).