3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide

C23H26N2O5 — CID 87559865

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
SMILESCOc1ccc(C(CC(=O)NO)C2NC(=O)c3ccccc32)cc1OC1CCCC1
InChIInChI=1S/C23H26N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(26)25-28)22-16-8-4-5-9-17(16)23(27)24-22/h4-5,8-12,15,18,22,28H,2-3,6-7,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyLNGYQXXNOSYSLP-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.48
Rot. Bonds7

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide (PubChem CID 87559865) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
PubChem CID87559865
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
SMILESCOc1ccc(C(CC(=O)NO)C2NC(=O)c3ccccc32)cc1OC1CCCC1
InChIInChI=1S/C23H26N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(26)25-28)22-16-8-4-5-9-17(16)23(27)24-22/h4-5,8-12,15,18,22,28H,2-3,6-7,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyLNGYQXXNOSYSLP-UHFFFAOYSA-N
XLogP3.48
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide (CID 87559865) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide is COc1ccc(C(CC(=O)NO)C2NC(=O)c3ccccc32)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
The InChIKey is LNGYQXXNOSYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(26)25-28)22-16-8-4-5-9-17(16)23(27)24-22/h4-5,8-12,15,18,22,28H,2-3,6-7,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide has a molecular weight of 410.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide is sourced from PubChem (CID 87559865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).