2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide

C30H42N2O4 — CID 17051386

IUPAC2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NC1CCCCC1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C30H42N2O4/c1-29(2,3)21-13-7-11-17-25(21)35-19-27(33)31-23-15-9-10-16-24(23)32-28(34)20-36-26-18-12-8-14-22(26)30(4,5)6/h7-8,11-14,17-18,23-24H,9-10,15-16,19-20H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyNJQXQESGPDXGSY-UHFFFAOYSA-N
MW494.68 g/mol
LogP5.28
Rot. Bonds8

About 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide

2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide (PubChem CID 17051386) has the molecular formula C30H42N2O4 and a molecular weight of 494.68 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
PubChem CID17051386
Molecular FormulaC30H42N2O4
Molecular Weight494.68 g/mol
Exact Mass494.31
IUPAC Name2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NC1CCCCC1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C30H42N2O4/c1-29(2,3)21-13-7-11-17-25(21)35-19-27(33)31-23-15-9-10-16-24(23)32-28(34)20-36-26-18-12-8-14-22(26)30(4,5)6/h7-8,11-14,17-18,23-24H,9-10,15-16,19-20H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyNJQXQESGPDXGSY-UHFFFAOYSA-N
XLogP5.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
2-naphthalen-1-yloxy-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]cyclohexyl]acetamide
CID 5176839
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
CID 7478838
2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide
CID 96542515
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide (CID 17051386) is 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide is CC(C)(C)c1ccccc1OCC(=O)NC1CCCCC1NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The InChIKey is NJQXQESGPDXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O4/c1-29(2,3)21-13-7-11-17-25(21)35-19-27(33)31-23-15-9-10-16-24(23)32-28(34)20-36-26-18-12-8-14-22(26)30(4,5)6/h7-8,11-14,17-18,23-24H,9-10,15-16,19-20H2,1-6H3,(H,31,33)(H,32,34).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide?
2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide has a molecular weight of 494.68 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 17051386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).