(E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C24H26FN3O2 — CID 58613603

IUPAC(E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCc1c[nH]c2cc(F)ccc12)C1CCc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C24H26FN3O2/c1-2-28(12-11-18-15-26-22-14-19(25)6-8-20(18)22)23-9-5-17-13-16(3-7-21(17)23)4-10-24(29)27-30/h3-4,6-8,10,13-15,23,26,30H,2,5,9,11-12H2,1H3,(H,27,29)/b10-4+
InChIKeyNYAQHCIUGKALRN-ONNFQVAWSA-N
MW407.49 g/mol
LogP4.38
Rot. Bonds7

About (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613603) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613603
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCc1c[nH]c2cc(F)ccc12)C1CCc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C24H26FN3O2/c1-2-28(12-11-18-15-26-22-14-19(25)6-8-20(18)22)23-9-5-17-13-16(3-7-21(17)23)4-10-24(29)27-30/h3-4,6-8,10,13-15,23,26,30H,2,5,9,11-12H2,1H3,(H,27,29)/b10-4+
InChIKeyNYAQHCIUGKALRN-ONNFQVAWSA-N
XLogP4.38
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613603) is (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is CCN(CCc1c[nH]c2cc(F)ccc12)C1CCc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is NYAQHCIUGKALRN-ONNFQVAWSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-2-28(12-11-18-15-26-22-14-19(25)6-8-20(18)22)23-9-5-17-13-16(3-7-21(17)23)4-10-24(29)27-30/h3-4,6-8,10,13-15,23,26,30H,2,5,9,11-12H2,1H3,(H,27,29)/b10-4+.
What are the key properties of (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 407.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[ethyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).