(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide

C21H23N3O2 — CID 11857024

IUPAC(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
SMILESCn1cc(CNCCc2ccccc2)c2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C21H23N3O2/c1-24-15-18(14-22-12-11-16-5-3-2-4-6-16)19-13-17(7-9-20(19)24)8-10-21(25)23-26/h2-10,13,15,22,26H,11-12,14H2,1H3,(H,23,25)/b10-8+
InChIKeyXNHJIBTULLTQOG-CSKARUKUSA-N
MW349.43 g/mol
LogP3.03
Rot. Bonds7

About (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide (PubChem CID 11857024) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
PubChem CID11857024
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
SMILESCn1cc(CNCCc2ccccc2)c2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C21H23N3O2/c1-24-15-18(14-22-12-11-16-5-3-2-4-6-16)19-13-17(7-9-20(19)24)8-10-21(25)23-26/h2-10,13,15,22,26H,11-12,14H2,1H3,(H,23,25)/b10-8+
InChIKeyXNHJIBTULLTQOG-CSKARUKUSA-N
XLogP3.03
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide (CID 11857024) is (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide is Cn1cc(CNCCc2ccccc2)c2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide?
The InChIKey is XNHJIBTULLTQOG-CSKARUKUSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-15-18(14-22-12-11-16-5-3-2-4-6-16)19-13-17(7-9-20(19)24)8-10-21(25)23-26/h2-10,13,15,22,26H,11-12,14H2,1H3,(H,23,25)/b10-8+.
What are the key properties of (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide has a molecular weight of 349.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide is sourced from PubChem (CID 11857024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).