N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide

C22H26N2O3 — CID 118967929

IUPACN-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccn3C)C2=O)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-13-10-14(2)19(15(3)11-13)20-18(25)12-16(21(20)26)7-8-23-22(27)17-6-5-9-24(17)4/h5-6,9-11,16,20H,7-8,12H2,1-4H3,(H,23,27)
InChIKeyZQIKMICFCGUIDK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide

N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 118967929) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID118967929
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccn3C)C2=O)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-13-10-14(2)19(15(3)11-13)20-18(25)12-16(21(20)26)7-8-23-22(27)17-6-5-9-24(17)4/h5-6,9-11,16,20H,7-8,12H2,1-4H3,(H,23,27)
InChIKeyZQIKMICFCGUIDK-UHFFFAOYSA-N
XLogP3.01
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
CID 118967942
2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethylazanium
CID 140707308
N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
CID 130362650
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
4-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66684084
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
S-phenyl 4-[[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]methyl]piperidine-1-carbothioate
CID 58481632
N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 17426087
N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 101100175
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-methylpyrrole-2-carboxylate
CID 7554474
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide
CID 115699871

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide (CID 118967929) is N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide is Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccn3C)C2=O)c(C)c1.
What is the InChIKey of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ZQIKMICFCGUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-13-10-14(2)19(15(3)11-13)20-18(25)12-16(21(20)26)7-8-23-22(27)17-6-5-9-24(17)4/h5-6,9-11,16,20H,7-8,12H2,1-4H3,(H,23,27).
What are the key properties of N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide?
N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 118967929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).