(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide

C25H29N3O3 — CID 11004308

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO
InChIInChI=1S/C25H29N3O3/c29-25(27-30)10-9-19-5-7-20(8-6-19)18-28(22-12-15-31-16-13-22)14-11-21-17-26-24-4-2-1-3-23(21)24/h1-10,17,22,26,30H,11-16,18H2,(H,27,29)/b10-9+
InChIKeyUYCGYJBWLFVKGB-MDZDMXLPSA-N
MW419.53 g/mol
LogP3.91
Rot. Bonds8

About (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 11004308) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide
PubChem CID11004308
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO
InChIInChI=1S/C25H29N3O3/c29-25(27-30)10-9-19-5-7-20(8-6-19)18-28(22-12-15-31-16-13-22)14-11-21-17-26-24-4-2-1-3-23(21)24/h1-10,17,22,26,30H,11-16,18H2,(H,27,29)/b10-9+
InChIKeyUYCGYJBWLFVKGB-MDZDMXLPSA-N
XLogP3.91
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
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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Related Compounds

Panobinostat
CID 6918837
Indoramin
CID 33625
Dacinostat
CID 6445533
Cinnamoyl tryptamine
CID 823206
2-Ethyl indole, 19
CID 25138261
Chondriamide A
CID 6917436
Chondriamide C
CID 10336561
2-Methyl indole, 18
CID 25138260
4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
CID 60164834
(E)-N-hydroxy-3-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 11024529
(E)-3-(3,5-difluorophenyl)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 11540494
(E)-N-Hydroxy-3-(4-{1-[2-(2-methyl-1H-indol-3-yl)ethyl]-pyrrolidin-2-yl}phenyl)acrylamide
CID 44233027

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide (CID 11004308) is (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is UYCGYJBWLFVKGB-MDZDMXLPSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-25(27-30)10-9-19-5-7-20(8-6-19)18-28(22-12-15-31-16-13-22)14-11-21-17-26-24-4-2-1-3-23(21)24/h1-10,17,22,26,30H,11-16,18H2,(H,27,29)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 419.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-(oxan-4-yl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11004308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).