(E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide

C19H19N3O2 — CID 10892598

IUPAC(E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCc2cc3ccccc3[nH]2)cc1)NO
InChIInChI=1S/C19H19N3O2/c23-19(22-24)10-9-14-5-7-15(8-6-14)12-20-13-17-11-16-3-1-2-4-18(16)21-17/h1-11,20-21,24H,12-13H2,(H,22,23)/b10-9+
InChIKeySSTBBHZVXHZXTP-MDZDMXLPSA-N
MW321.38 g/mol
LogP2.98
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide (PubChem CID 10892598) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide
PubChem CID10892598
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCc2cc3ccccc3[nH]2)cc1)NO
InChIInChI=1S/C19H19N3O2/c23-19(22-24)10-9-14-5-7-15(8-6-14)12-20-13-17-11-16-3-1-2-4-18(16)21-17/h1-11,20-21,24H,12-13H2,(H,22,23)/b10-9+
InChIKeySSTBBHZVXHZXTP-MDZDMXLPSA-N
XLogP2.98
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.98
H-Bond Donors ≤ 54
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)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide (CID 10892598) is (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNCc2cc3ccccc3[nH]2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide?
The InChIKey is SSTBBHZVXHZXTP-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(22-24)10-9-14-5-7-15(8-6-14)12-20-13-17-11-16-3-1-2-4-18(16)21-17/h1-11,20-21,24H,12-13H2,(H,22,23)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(1H-indol-2-ylmethylamino)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 10892598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).