2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide

C27H36N2O3 — CID 132670970

IUPAC2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C27H36N2O3/c1-5-24(32-21-17-15-19(16-18-21)27(2,3)4)26(31)29-23-14-10-9-13-22(23)25(30)28-20-11-7-6-8-12-20/h9-10,13-18,20,24H,5-8,11-12H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyNAOBYUORTZZNMT-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.84
Rot. Bonds7

About 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide

2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide (PubChem CID 132670970) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide
PubChem CID132670970
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C27H36N2O3/c1-5-24(32-21-17-15-19(16-18-21)27(2,3)4)26(31)29-23-14-10-9-13-22(23)25(30)28-20-11-7-6-8-12-20/h9-10,13-18,20,24H,5-8,11-12H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyNAOBYUORTZZNMT-UHFFFAOYSA-N
XLogP5.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(4-methoxyphenoxy)butanoylamino]benzamide
CID 21368361
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
CID 4929653
N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide (CID 132670970) is 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
The InChIKey is NAOBYUORTZZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-5-24(32-21-17-15-19(16-18-21)27(2,3)4)26(31)29-23-14-10-9-13-22(23)25(30)28-20-11-7-6-8-12-20/h9-10,13-18,20,24H,5-8,11-12H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide has a molecular weight of 436.60 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 132670970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).