(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C22H25N3O2 — CID 74538888

IUPAC(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1cc2ccc(CCNCc3ccc(/C=C/C(=O)NO)cc3)cc2n1C
InChIInChI=1S/C22H25N3O2/c1-16-13-20-9-7-18(14-21(20)25(16)2)11-12-23-15-19-5-3-17(4-6-19)8-10-22(26)24-27/h3-10,13-14,23,27H,11-12,15H2,1-2H3,(H,24,26)/b10-8+
InChIKeyKXCMMTYZXYNCEY-CSKARUKUSA-N
MW363.46 g/mol
LogP3.34
Rot. Bonds7

About (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 74538888) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID74538888
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1cc2ccc(CCNCc3ccc(/C=C/C(=O)NO)cc3)cc2n1C
InChIInChI=1S/C22H25N3O2/c1-16-13-20-9-7-18(14-21(20)25(16)2)11-12-23-15-19-5-3-17(4-6-19)8-10-22(26)24-27/h3-10,13-14,23,27H,11-12,15H2,1-2H3,(H,24,26)/b10-8+
InChIKeyKXCMMTYZXYNCEY-CSKARUKUSA-N
XLogP3.34
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 118150450
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
(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-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
CID 11857024
(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-(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
3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
CID 72969789
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 74538888) is (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is Cc1cc2ccc(CCNCc3ccc(/C=C/C(=O)NO)cc3)cc2n1C.
What is the InChIKey of (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is KXCMMTYZXYNCEY-CSKARUKUSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-13-20-9-7-18(14-21(20)25(16)2)11-12-23-15-19-5-3-17(4-6-19)8-10-22(26)24-27/h3-10,13-14,23,27H,11-12,15H2,1-2H3,(H,24,26)/b10-8+.
What are the key properties of (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 363.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(1,2-dimethylindol-6-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74538888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).