4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide

C31H36N2O3 — CID 4034041

IUPAC4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C31H36N2O3/c1-31(2,3)25-16-12-24(13-17-25)30(35)33-27-11-7-10-26(20-27)32-29(34)21-36-28-18-14-23(15-19-28)22-8-5-4-6-9-22/h7,10-20,22H,4-6,8-9,21H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyIXLZRVAFXPBVNF-UHFFFAOYSA-N
MW484.64 g/mol
LogP7.30
Rot. Bonds7

About 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide

4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 4034041) has the molecular formula C31H36N2O3 and a molecular weight of 484.64 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID4034041
Molecular FormulaC31H36N2O3
Molecular Weight484.64 g/mol
Exact Mass484.27
IUPAC Name4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C31H36N2O3/c1-31(2,3)25-16-12-24(13-17-25)30(35)33-27-11-7-10-26(20-27)32-29(34)21-36-28-18-14-23(15-19-28)22-8-5-4-6-9-22/h7,10-20,22H,4-6,8-9,21H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyIXLZRVAFXPBVNF-UHFFFAOYSA-N
XLogP7.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 2908045
4-tert-butyl-N-[3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46772125
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
N-[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 23095230
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide (CID 4034041) is 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is IXLZRVAFXPBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O3/c1-31(2,3)25-16-12-24(13-17-25)30(35)33-27-11-7-10-26(20-27)32-29(34)21-36-28-18-14-23(15-19-28)22-8-5-4-6-9-22/h7,10-20,22H,4-6,8-9,21H2,1-3H3,(H,32,34)(H,33,35).
What are the key properties of 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide?
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 484.64 g/mol, XLogP of 7.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 4034041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).