(4-methylphenyl) 2-acetamido-2-cyclopentylacetate

C16H21NO3 — CID 47126836

IUPAC(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)Oc1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-11-7-9-14(10-8-11)20-16(19)15(17-12(2)18)13-5-3-4-6-13/h7-10,13,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyGMGHMSIFDNRBQV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.60
Rot. Bonds4

About (4-methylphenyl) 2-acetamido-2-cyclopentylacetate

(4-methylphenyl) 2-acetamido-2-cyclopentylacetate (PubChem CID 47126836) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-methylphenyl) 2-acetamido-2-cyclopentylacetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
PubChem CID47126836
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)Oc1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-11-7-9-14(10-8-11)20-16(19)15(17-12(2)18)13-5-3-4-6-13/h7-10,13,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyGMGHMSIFDNRBQV-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-2-cyclopentyl-N-(2,4-dimethylphenyl)acetamide
CID 51562307
benzyl (2S)-2-acetamido-2-cyclopentylacetate
CID 155326038
[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate
CID 55562015
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
1-O-cyclohexyl 3-O-(4-methylphenyl) 2-methylpropanedioate
CID 89131993
2-acetamido-2-cyclopentyl-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 111758358
(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
CID 94190804
3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide
CID 86982911
(4-methylphenyl) 2-acetamido-4-methylsulfanylbutanoate
CID 122675221
2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272169

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-acetamido-2-cyclopentylacetate?
The IUPAC name of (4-methylphenyl) 2-acetamido-2-cyclopentylacetate (CID 47126836) is (4-methylphenyl) 2-acetamido-2-cyclopentylacetate.
What is the SMILES notation for (4-methylphenyl) 2-acetamido-2-cyclopentylacetate?
The canonical SMILES for (4-methylphenyl) 2-acetamido-2-cyclopentylacetate is CC(=O)NC(C(=O)Oc1ccc(C)cc1)C1CCCC1.
What is the InChIKey of (4-methylphenyl) 2-acetamido-2-cyclopentylacetate?
The InChIKey is GMGHMSIFDNRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-7-9-14(10-8-11)20-16(19)15(17-12(2)18)13-5-3-4-6-13/h7-10,13,15H,3-6H2,1-2H3,(H,17,18).
What are the key properties of (4-methylphenyl) 2-acetamido-2-cyclopentylacetate?
(4-methylphenyl) 2-acetamido-2-cyclopentylacetate has a molecular weight of 275.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-acetamido-2-cyclopentylacetate is sourced from PubChem (CID 47126836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).