(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C24H23N3O2 — CID 118150430

IUPAC(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cccc3c2[nH]c2ccccc23)cc1)NO
InChIInChI=1S/C24H23N3O2/c28-23(27-29)13-12-17-8-10-18(11-9-17)16-25-15-14-19-4-3-6-21-20-5-1-2-7-22(20)26-24(19)21/h1-13,25-26,29H,14-16H2,(H,27,28)/b13-12+
InChIKeyOCZHYJXVUAZMGA-OUKQBFOZSA-N
MW385.47 g/mol
LogP4.17
Rot. Bonds7

About (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 118150430) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID118150430
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCc2cccc3c2[nH]c2ccccc23)cc1)NO
InChIInChI=1S/C24H23N3O2/c28-23(27-29)13-12-17-8-10-18(11-9-17)16-25-15-14-19-4-3-6-21-20-5-1-2-7-22(20)26-24(19)21/h1-13,25-26,29H,14-16H2,(H,27,28)/b13-12+
InChIKeyOCZHYJXVUAZMGA-OUKQBFOZSA-N
XLogP4.17
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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Related Compounds

(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289
ethane;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 156839616
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate
CID 158441021
(E)-3-[4-[[2-(2,3-dimethyl-1H-indol-5-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane
CID 144858739
(E)-N-hydroxy-3-[4-[[2-(1,2,3,4-tetrahydrocyclopenta[b]indol-8-yl)ethylamino]methyl]phenyl]prop-2-enamide;4-methyl-2,3-dihydro-1H-pyrrole
CID 144858774
(E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N',N'-dipropylprop-2-enehydrazide
CID 155539715
(E)-N-hydroxy-3-[2-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 87306269
(E)-3-[4-[[2-(2,4-dihydro-1H-thieno[2,3-b]indol-8-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide;ethane;furan-2-amine
CID 144858694
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
(E)-3-[2-fluoro-4-[[2-(1H-indol-4-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150296
N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
CID 85390507

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 118150430) is (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CNCCc2cccc3c2[nH]c2ccccc23)cc1)NO.
What is the InChIKey of (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is OCZHYJXVUAZMGA-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(27-29)13-12-17-8-10-18(11-9-17)16-25-15-14-19-4-3-6-21-20-5-1-2-7-22(20)26-24(19)21/h1-13,25-26,29H,14-16H2,(H,27,28)/b13-12+.
What are the key properties of (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 385.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 118150430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).