3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide

C27H36N2O3 — CID 17170670

IUPAC3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H36N2O3/c1-4-19(3)23-16-9-10-17-25(23)32-24(5-2)27(31)29-22-15-11-12-20(18-22)26(30)28-21-13-7-6-8-14-21/h9-12,15-19,21,24H,4-8,13-14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyWOIGPKPDQWZGOW-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.06
Rot. Bonds9

About 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide

3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide (PubChem CID 17170670) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
PubChem CID17170670
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H36N2O3/c1-4-19(3)23-16-9-10-17-25(23)32-24(5-2)27(31)29-22-15-11-12-20(18-22)26(30)28-21-13-7-6-8-14-21/h9-12,15-19,21,24H,4-8,13-14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyWOIGPKPDQWZGOW-UHFFFAOYSA-N
XLogP6.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877899
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17170482
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
N-cyclohexyl-3-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17170605
3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17189643
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide (CID 17170670) is 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
The InChIKey is WOIGPKPDQWZGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-4-19(3)23-16-9-10-17-25(23)32-24(5-2)27(31)29-22-15-11-12-20(18-22)26(30)28-21-13-7-6-8-14-21/h9-12,15-19,21,24H,4-8,13-14H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide?
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide has a molecular weight of 436.60 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17170670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).