N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide

C22H28N2O4 — CID 130362921

IUPACN-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)C3=NOC(C)(C)C3)C2=O)c(C)c1
InChIInChI=1S/C22H28N2O4/c1-12-8-13(2)18(14(3)9-12)19-17(25)10-15(20(19)26)6-7-23-21(27)16-11-22(4,5)28-24-16/h8-9,15,19H,6-7,10-11H2,1-5H3,(H,23,27)
InChIKeyQUPCCKDVQCAAGI-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide

N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide (PubChem CID 130362921) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide
PubChem CID130362921
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)C3=NOC(C)(C)C3)C2=O)c(C)c1
InChIInChI=1S/C22H28N2O4/c1-12-8-13(2)18(14(3)9-12)19-17(25)10-15(20(19)26)6-7-23-21(27)16-11-22(4,5)28-24-16/h8-9,15,19H,6-7,10-11H2,1-5H3,(H,23,27)
InChIKeyQUPCCKDVQCAAGI-UHFFFAOYSA-N
XLogP2.91
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 118967929
N-[2-[3-(2-bromo-4,6-dimethylphenyl)-2-methoxy-4-oxocyclopent-2-en-1-yl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide
CID 130362787
N-[2-[3-(4-hydroxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
CID 130239203
2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethylazanium
CID 140707308
N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
CID 118967942
4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 89062412
4-[(5-methylfuran-2-yl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66683885
N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
CID 130362650
4-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66684084
4-[(4-methyl-2-pyridinyl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66683898
4-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 58481619
4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 145066495

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide (CID 130362921) is N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide is Cc1cc(C)c(C2C(=O)CC(CCNC(=O)C3=NOC(C)(C)C3)C2=O)c(C)c1.
What is the InChIKey of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide?
The InChIKey is QUPCCKDVQCAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-12-8-13(2)18(14(3)9-12)19-17(25)10-15(20(19)26)6-7-23-21(27)16-11-22(4,5)28-24-16/h8-9,15,19H,6-7,10-11H2,1-5H3,(H,23,27).
What are the key properties of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide?
N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130362921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).