[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate

C16H21NO3 — CID 71411255

IUPAC[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate
SMILESCC(=O)NCc1cc(C2CCCC2)ccc1OC(C)=O
InChIInChI=1S/C16H21NO3/c1-11(18)17-10-15-9-14(13-5-3-4-6-13)7-8-16(15)20-12(2)19/h7-9,13H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyYQNDSYNBQNFASR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.91
Rot. Bonds4

About [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate

[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate (PubChem CID 71411255) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate.

Molecular Properties

Compound Name[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate
PubChem CID71411255
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate
SMILESCC(=O)NCc1cc(C2CCCC2)ccc1OC(C)=O
InChIInChI=1S/C16H21NO3/c1-11(18)17-10-15-9-14(13-5-3-4-6-13)7-8-16(15)20-12(2)19/h7-9,13H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyYQNDSYNBQNFASR-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate?
The IUPAC name of [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate (CID 71411255) is [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate.
What is the SMILES notation for [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate?
The canonical SMILES for [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate is CC(=O)NCc1cc(C2CCCC2)ccc1OC(C)=O.
What is the InChIKey of [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate?
The InChIKey is YQNDSYNBQNFASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(18)17-10-15-9-14(13-5-3-4-6-13)7-8-16(15)20-12(2)19/h7-9,13H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate?
[2-(acetamidomethyl)-4-cyclopentylphenyl] acetate has a molecular weight of 275.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetamidomethyl)-4-cyclopentylphenyl] acetate is sourced from PubChem (CID 71411255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).