(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

C28H34N4O2 — CID 144858774

IUPAC(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
SMILESCC1=CNCC1.O=C(/C=C/c1ccc(CNCCc2cccc3[nH]c4c(c23)CCC4)cc1)NO
InChIInChI=1S/C23H25N3O2.C5H9N/c27-22(26-28)12-11-16-7-9-17(10-8-16)15-24-14-13-18-3-1-6-21-23(18)19-4-2-5-20(19)25-21;1-5-2-3-6-4-5/h1,3,6-12,24-25,28H,2,4-5,13-15H2,(H,26,27);4,6H,2-3H2,1H3/b12-11+;
InChIKeyYIWYUUOJMBJKEG-CALJPSDSSA-N
MW458.61 g/mol
LogP4.39
Rot. Bonds7

About (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

(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 (PubChem CID 144858774) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144858774
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name(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
SMILESCC1=CNCC1.O=C(/C=C/c1ccc(CNCCc2cccc3[nH]c4c(c23)CCC4)cc1)NO
InChIInChI=1S/C23H25N3O2.C5H9N/c27-22(26-28)12-11-16-7-9-17(10-8-16)15-24-14-13-18-3-1-6-21-23(18)19-4-2-5-20(19)25-21;1-5-2-3-6-4-5/h1,3,6-12,24-25,28H,2,4-5,13-15H2,(H,26,27);4,6H,2-3H2,1H3/b12-11+;
InChIKeyYIWYUUOJMBJKEG-CALJPSDSSA-N
XLogP4.39
TPSA89.18 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.39
H-Bond Donors ≤ 55
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'}

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150430
(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
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-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
(E)-N-hydroxy-3-[4-[[2-(1,3,4,9-tetrahydrothiopyrano[3,4-b]indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 118150420
(E)-N-hydroxy-3-[4-[[2-(1,3,4,9-tetrahydropyrano[3,4-b]indol-6-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 118150388
(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-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
(E)-N-hydroxy-3-[4-[[2-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 53364277
(E)-N-hydroxy-3-[4-[[2-[5-(3-methylbut-2-enoxy)-1H-indol-3-yl]ethylamino]methyl]phenyl]prop-2-enamide
CID 20579407

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1=CNCC1.O=C(/C=C/c1ccc(CNCCc2cccc3[nH]c4c(c23)CCC4)cc1)NO.
What is the InChIKey of (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?
The InChIKey is YIWYUUOJMBJKEG-CALJPSDSSA-N. The full InChI is InChI=1S/C23H25N3O2.C5H9N/c27-22(26-28)12-11-16-7-9-17(10-8-16)15-24-14-13-18-3-1-6-21-23(18)19-4-2-5-20(19)25-21;1-5-2-3-6-4-5/h1,3,6-12,24-25,28H,2,4-5,13-15H2,(H,26,27);4,6H,2-3H2,1H3/b12-11+;.
What are the key properties of (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?
(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 has a molecular weight of 458.61 g/mol, XLogP of 4.39, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144858774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).