2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide

C38H58N2O4 — CID 17357144

IUPAC2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCCCC2NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C38H58N2O4/c1-35(2,3)25-17-19-31(27(21-25)37(7,8)9)43-23-33(41)39-29-15-13-14-16-30(29)40-34(42)24-44-32-20-18-26(36(4,5)6)22-28(32)38(10,11)12/h17-22,29-30H,13-16,23-24H2,1-12H3,(H,39,41)(H,40,42)
InChIKeyVANNUCXKQCXQQX-UHFFFAOYSA-N
MW606.89 g/mol
LogP7.88
Rot. Bonds8

About 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide

2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide (PubChem CID 17357144) has the molecular formula C38H58N2O4 and a molecular weight of 606.89 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
PubChem CID17357144
Molecular FormulaC38H58N2O4
Molecular Weight606.89 g/mol
Exact Mass606.44
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCCCC2NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C38H58N2O4/c1-35(2,3)25-17-19-31(27(21-25)37(7,8)9)43-23-33(41)39-29-15-13-14-16-30(29)40-34(42)24-44-32-20-18-26(36(4,5)6)22-28(32)38(10,11)12/h17-22,29-30H,13-16,23-24H2,1-12H3,(H,39,41)(H,40,42)
InChIKeyVANNUCXKQCXQQX-UHFFFAOYSA-N
XLogP7.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.89
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17051386
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17051842
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
2-(2,4-ditert-butylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560992
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide (CID 17357144) is 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NC2CCCCC2NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The InChIKey is VANNUCXKQCXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58N2O4/c1-35(2,3)25-17-19-31(27(21-25)37(7,8)9)43-23-33(41)39-29-15-13-14-16-30(29)40-34(42)24-44-32-20-18-26(36(4,5)6)22-28(32)38(10,11)12/h17-22,29-30H,13-16,23-24H2,1-12H3,(H,39,41)(H,40,42).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide has a molecular weight of 606.89 g/mol, XLogP of 7.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 17357144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).