2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

C17H22N2O3 — CID 46551111

IUPAC2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CC1C=CCC1
InChIInChI=1S/C17H22N2O3/c1-12-7-8-15(22-2)14(9-12)19-17(21)11-18-16(20)10-13-5-3-4-6-13/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySTODUXONKAKTPU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.41
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (PubChem CID 46551111) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
PubChem CID46551111
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CC1C=CCC1
InChIInChI=1S/C17H22N2O3/c1-12-7-8-15(22-2)14(9-12)19-17(21)11-18-16(20)10-13-5-3-4-6-13/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySTODUXONKAKTPU-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide
CID 134875380
2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide
CID 101107082
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065629
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065392
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543828
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (CID 46551111) is 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is STODUXONKAKTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-7-8-15(22-2)14(9-12)19-17(21)11-18-16(20)10-13-5-3-4-6-13/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 46551111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).