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

C24H21N3O2 — CID 20579340

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNc2ccccc2-c2cc3ccccc3[nH]2)cc1)NO
InChIInChI=1S/C24H21N3O2/c28-24(27-29)14-13-17-9-11-18(12-10-17)16-25-22-8-4-2-6-20(22)23-15-19-5-1-3-7-21(19)26-23/h1-15,25-26,29H,16H2,(H,27,28)/b14-13+
InChIKeyYWJCNYOJCHINBC-BUHFOSPRSA-N
MW383.45 g/mol
LogP4.97
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide (PubChem CID 20579340) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide
PubChem CID20579340
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNc2ccccc2-c2cc3ccccc3[nH]2)cc1)NO
InChIInChI=1S/C24H21N3O2/c28-24(27-29)14-13-17-9-11-18(12-10-17)16-25-22-8-4-2-6-20(22)23-15-19-5-1-3-7-21(19)26-23/h1-15,25-26,29H,16H2,(H,27,28)/b14-13+
InChIKeyYWJCNYOJCHINBC-BUHFOSPRSA-N
XLogP4.97
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.97
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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Related Compounds

3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-hydroxyprop-2-enamide
CID 75030713
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-[4-[[2-(9H-carbazol-1-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150430
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one
CID 142731769
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
(E)-N-hydroxy-3-[4-[[2-(1H-indol-5-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539649
2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
CID 91534823
(E)-N-hydroxy-3-[2-[(4-methylsulfonylphenyl)methylamino]phenyl]prop-2-enamide
CID 122514212
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide (CID 20579340) is (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CNc2ccccc2-c2cc3ccccc3[nH]2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide?
The InChIKey is YWJCNYOJCHINBC-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-24(27-29)14-13-17-9-11-18(12-10-17)16-25-22-8-4-2-6-20(22)23-15-19-5-1-3-7-21(19)26-23/h1-15,25-26,29H,16H2,(H,27,28)/b14-13+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.97, 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-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 20579340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).