2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane

C27H39NO2 — CID 177059751

IUPAC2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane
SMILESCC.CNC(=O)C(C)(C)c1ccc(OC2CCCC2)c(-c2ccccc2C(C)C)c1
InChIInChI=1S/C25H33NO2.C2H6/c1-17(2)20-12-8-9-13-21(20)22-16-18(25(3,4)24(27)26-5)14-15-23(22)28-19-10-6-7-11-19;1-2/h8-9,12-17,19H,6-7,10-11H2,1-5H3,(H,26,27);1-2H3
InChIKeyHSPFVBLNSFDEOX-UHFFFAOYSA-N
MW409.61 g/mol
LogP6.85
Rot. Bonds6

About 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane

2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane (PubChem CID 177059751) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane.

Molecular Properties

Compound Name2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane
PubChem CID177059751
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Name2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane
SMILESCC.CNC(=O)C(C)(C)c1ccc(OC2CCCC2)c(-c2ccccc2C(C)C)c1
InChIInChI=1S/C25H33NO2.C2H6/c1-17(2)20-12-8-9-13-21(20)22-16-18(25(3,4)24(27)26-5)14-15-23(22)28-19-10-6-7-11-19;1-2/h8-9,12-17,19H,6-7,10-11H2,1-5H3,(H,26,27);1-2H3
InChIKeyHSPFVBLNSFDEOX-UHFFFAOYSA-N
XLogP6.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane?
The IUPAC name of 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane (CID 177059751) is 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane.
What is the SMILES notation for 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane?
The canonical SMILES for 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane is CC.CNC(=O)C(C)(C)c1ccc(OC2CCCC2)c(-c2ccccc2C(C)C)c1.
What is the InChIKey of 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane?
The InChIKey is HSPFVBLNSFDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2.C2H6/c1-17(2)20-12-8-9-13-21(20)22-16-18(25(3,4)24(27)26-5)14-15-23(22)28-19-10-6-7-11-19;1-2/h8-9,12-17,19H,6-7,10-11H2,1-5H3,(H,26,27);1-2H3.
What are the key properties of 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane?
2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane has a molecular weight of 409.61 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopentyloxy-3-(2-propan-2-ylphenyl)phenyl]-N,2-dimethylpropanamide;ethane is sourced from PubChem (CID 177059751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).