N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen

C22H31NO2 — CID 145066444

IUPACN-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen
SMILESC=C1C(CC(=O)NC2CCCC2)CC(=O)C1c1c(C)cc(C)cc1C.[H][H]
InChIInChI=1S/C22H29NO2.H2/c1-13-9-14(2)21(15(3)10-13)22-16(4)17(11-19(22)24)12-20(25)23-18-7-5-6-8-18;/h9-10,17-18,22H,4-8,11-12H2,1-3H3,(H,23,25);1H
InChIKeyFCQLYQLTLDRVOE-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.54
Rot. Bonds4

About N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen

N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen (PubChem CID 145066444) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen
PubChem CID145066444
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen
SMILESC=C1C(CC(=O)NC2CCCC2)CC(=O)C1c1c(C)cc(C)cc1C.[H][H]
InChIInChI=1S/C22H29NO2.H2/c1-13-9-14(2)21(15(3)10-13)22-16(4)17(11-19(22)24)12-20(25)23-18-7-5-6-8-18;/h9-10,17-18,22H,4-8,11-12H2,1-3H3,(H,23,25);1H
InChIKeyFCQLYQLTLDRVOE-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethynyl-2,6-dimethylphenyl)-2-methylidene-4-oxocyclopentyl]-N-propan-2-ylacetamide
CID 145066331
N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
CID 130362650
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethylazanium
CID 140707308
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
4-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 58481619
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
N-cycloheptyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744084

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen?
The IUPAC name of N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen (CID 145066444) is N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen?
The canonical SMILES for N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen is C=C1C(CC(=O)NC2CCCC2)CC(=O)C1c1c(C)cc(C)cc1C.[H][H].
What is the InChIKey of N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen?
The InChIKey is FCQLYQLTLDRVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.H2/c1-13-9-14(2)21(15(3)10-13)22-16(4)17(11-19(22)24)12-20(25)23-18-7-5-6-8-18;/h9-10,17-18,22H,4-8,11-12H2,1-3H3,(H,23,25);1H.
What are the key properties of N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen?
N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen has a molecular weight of 341.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen is sourced from PubChem (CID 145066444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).