[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

C17H21NO5 — CID 9065392

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C[C@H]2C=CCC2)c1
InChIInChI=1S/C17H21NO5/c1-21-13-7-8-15(22-2)14(10-13)18-16(19)11-23-17(20)9-12-5-3-4-6-12/h3,5,7-8,10,12H,4,6,9,11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyRTDRUQFISAUJSQ-LBPRGKRZSA-N
MW319.36 g/mol
LogP2.54
Rot. Bonds7

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 9065392) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID9065392
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C[C@H]2C=CCC2)c1
InChIInChI=1S/C17H21NO5/c1-21-13-7-8-15(22-2)14(10-13)18-16(19)11-23-17(20)9-12-5-3-4-6-12/h3,5,7-8,10,12H,4,6,9,11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyRTDRUQFISAUJSQ-LBPRGKRZSA-N
XLogP2.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065495
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065750
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46551111
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065484
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932095
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 9065392) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is COc1ccc(OC)c(NC(=O)COC(=O)C[C@H]2C=CCC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is RTDRUQFISAUJSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO5/c1-21-13-7-8-15(22-2)14(10-13)18-16(19)11-23-17(20)9-12-5-3-4-6-12/h3,5,7-8,10,12H,4,6,9,11H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 319.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9065392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).