4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide

C16H21NO3 — CID 104752126

IUPAC4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1OCC(=O)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-10-7-13(16(17)19)8-11(2)15(10)20-9-14(18)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H2,17,19)
InChIKeyPMRTXBYKSMMZLV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds5

About 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide

4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide (PubChem CID 104752126) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide
PubChem CID104752126
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1OCC(=O)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-10-7-13(16(17)19)8-11(2)15(10)20-9-14(18)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H2,17,19)
InChIKeyPMRTXBYKSMMZLV-UHFFFAOYSA-N
XLogP2.54
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide?
The IUPAC name of 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide (CID 104752126) is 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide?
The canonical SMILES for 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1OCC(=O)C1CCCC1.
What is the InChIKey of 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide?
The InChIKey is PMRTXBYKSMMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-7-13(16(17)19)8-11(2)15(10)20-9-14(18)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3,(H2,17,19).
What are the key properties of 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide?
4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 104752126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).