(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide

C24H27N3O2 — CID 11853117

IUPAC(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)c(CN1CCCC1)cn2CCc1ccccc1)NO
InChIInChI=1S/C24H27N3O2/c28-24(25-29)11-9-20-8-10-23-22(16-20)21(17-26-13-4-5-14-26)18-27(23)15-12-19-6-2-1-3-7-19/h1-3,6-11,16,18,29H,4-5,12-15,17H2,(H,25,28)/b11-9+
InChIKeyROHIFIVOOJIBLJ-PKNBQFBNSA-N
MW389.50 g/mol
LogP4.00
Rot. Bonds7

About (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide (PubChem CID 11853117) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide
PubChem CID11853117
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)c(CN1CCCC1)cn2CCc1ccccc1)NO
InChIInChI=1S/C24H27N3O2/c28-24(25-29)11-9-20-8-10-23-22(16-20)21(17-26-13-4-5-14-26)18-27(23)15-12-19-6-2-1-3-7-19/h1-3,6-11,16,18,29H,4-5,12-15,17H2,(H,25,28)/b11-9+
InChIKeyROHIFIVOOJIBLJ-PKNBQFBNSA-N
XLogP4.00
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide (CID 11853117) is (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)c(CN1CCCC1)cn2CCc1ccccc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide?
The InChIKey is ROHIFIVOOJIBLJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24(25-29)11-9-20-8-10-23-22(16-20)21(17-26-13-4-5-14-26)18-27(23)15-12-19-6-2-1-3-7-19/h1-3,6-11,16,18,29H,4-5,12-15,17H2,(H,25,28)/b11-9+.
What are the key properties of (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide is sourced from PubChem (CID 11853117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).