N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide

C16H23NO2 — CID 798624

IUPACN-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-7-9-15(10-8-13)19-11-16(18)17-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyKLLSTSWTJCEIKV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds5

About N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide

N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 798624) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID798624
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-7-9-15(10-8-13)19-11-16(18)17-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyKLLSTSWTJCEIKV-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide (CID 798624) is N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is KLLSTSWTJCEIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)13-7-9-15(10-8-13)19-11-16(18)17-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide?
N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 261.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 798624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).