N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide

C20H27NO3 — CID 130362650

IUPACN-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
SMILESCc1cc(C)c(C2C(=O)CC(CC(=O)NC(C)(C)C)C2=O)c(C)c1
InChIInChI=1S/C20H27NO3/c1-11-7-12(2)17(13(3)8-11)18-15(22)9-14(19(18)24)10-16(23)21-20(4,5)6/h7-8,14,18H,9-10H2,1-6H3,(H,21,23)
InChIKeyAETVRWOZUOWEND-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.16
Rot. Bonds3

About N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide

N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide (PubChem CID 130362650) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
PubChem CID130362650
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
SMILESCc1cc(C)c(C2C(=O)CC(CC(=O)NC(C)(C)C)C2=O)c(C)c1
InChIInChI=1S/C20H27NO3/c1-11-7-12(2)17(13(3)8-11)18-15(22)9-14(19(18)24)10-16(23)21-20(4,5)6/h7-8,14,18H,9-10H2,1-6H3,(H,21,23)
InChIKeyAETVRWOZUOWEND-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide?
The IUPAC name of N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide (CID 130362650) is N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide is Cc1cc(C)c(C2C(=O)CC(CC(=O)NC(C)(C)C)C2=O)c(C)c1.
What is the InChIKey of N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide?
The InChIKey is AETVRWOZUOWEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-11-7-12(2)17(13(3)8-11)18-15(22)9-14(19(18)24)10-16(23)21-20(4,5)6/h7-8,14,18H,9-10H2,1-6H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide?
N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide is sourced from PubChem (CID 130362650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).