[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

C21H19NO4 — CID 9065686

IUPAC[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESO=C(COC(=O)C[C@H]1C=CCC1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H19NO4/c23-20(13-25-21(24)11-14-5-1-2-6-14)22-15-9-10-19-17(12-15)16-7-3-4-8-18(16)26-19/h1,3-5,7-10,12,14H,2,6,11,13H2,(H,22,23)/t14-/m0/s1
InChIKeyNIPYMHVPNQZJRD-AWEZNQCLSA-N
MW349.39 g/mol
LogP4.42
Rot. Bonds5

About [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 9065686) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID9065686
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESO=C(COC(=O)C[C@H]1C=CCC1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H19NO4/c23-20(13-25-21(24)11-14-5-1-2-6-14)22-15-9-10-19-17(12-15)16-7-3-4-8-18(16)26-19/h1,3-5,7-10,12,14H,2,6,11,13H2,(H,22,23)/t14-/m0/s1
InChIKeyNIPYMHVPNQZJRD-AWEZNQCLSA-N
XLogP4.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065493
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065405
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065446
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065890
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065734
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065430
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 8522498
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065487
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065484
[2-(2-nitroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065578
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8513564

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 9065686) is [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is O=C(COC(=O)C[C@H]1C=CCC1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is NIPYMHVPNQZJRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(13-25-21(24)11-14-5-1-2-6-14)22-15-9-10-19-17(12-15)16-7-3-4-8-18(16)26-19/h1,3-5,7-10,12,14H,2,6,11,13H2,(H,22,23)/t14-/m0/s1.
What are the key properties of [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 349.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9065686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).