4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide

C21H34N2O2 — CID 78820568

IUPAC4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN(CCO)C2CCCCC2)c(C)c1
InChIInChI=1S/C21H34N2O2/c1-16-14-17(2)21(18(3)15-16)22-20(25)10-7-11-23(12-13-24)19-8-5-4-6-9-19/h14-15,19,24H,4-13H2,1-3H3,(H,22,25)
InChIKeyIXJDIVGXMCQXGE-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.96
Rot. Bonds8

About 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide

4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 78820568) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID78820568
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN(CCO)C2CCCCC2)c(C)c1
InChIInChI=1S/C21H34N2O2/c1-16-14-17(2)21(18(3)15-16)22-20(25)10-7-11-23(12-13-24)19-8-5-4-6-9-19/h14-15,19,24H,4-13H2,1-3H3,(H,22,25)
InChIKeyIXJDIVGXMCQXGE-UHFFFAOYSA-N
XLogP3.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide (CID 78820568) is 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCCN(CCO)C2CCCCC2)c(C)c1.
What is the InChIKey of 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is IXJDIVGXMCQXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16-14-17(2)21(18(3)15-16)22-20(25)10-7-11-23(12-13-24)19-8-5-4-6-9-19/h14-15,19,24H,4-13H2,1-3H3,(H,22,25).
What are the key properties of 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide?
4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 346.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 78820568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).