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

C26H33N3O3 — CID 53361011

IUPAC(E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
SMILESCC(C)N(CCc1c(C(C)(C)O)[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C26H33N3O3/c1-18(2)29(17-20-11-9-19(10-12-20)13-14-24(30)28-32)16-15-22-21-7-5-6-8-23(21)27-25(22)26(3,4)31/h5-14,18,27,31-32H,15-17H2,1-4H3,(H,28,30)/b14-13+
InChIKeyMRFBLUAPKSWGQC-BUHFOSPRSA-N
MW435.57 g/mol
LogP4.37
Rot. Bonds9

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

(E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide (PubChem CID 53361011) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
PubChem CID53361011
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
SMILESCC(C)N(CCc1c(C(C)(C)O)[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C26H33N3O3/c1-18(2)29(17-20-11-9-19(10-12-20)13-14-24(30)28-32)16-15-22-21-7-5-6-8-23(21)27-25(22)26(3,4)31/h5-14,18,27,31-32H,15-17H2,1-4H3,(H,28,30)/b14-13+
InChIKeyMRFBLUAPKSWGQC-BUHFOSPRSA-N
XLogP4.37
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.37
H-Bond Donors ≤ 54
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

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(E)-N-hydroxy-3-[4-[[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide
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N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
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Lbh589
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(E)-3-[4-[[2-(6-hydroxy-2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
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(E)-N-hydroxy-3-[4-[[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]amino]methyl]phenyl]prop-2-enamide
CID 11783488
(E)-N-Hydroxy-3-{4-[2-(2-methyl-1H-indol-3-ylmethyl)piperidin-1-ylmethyl]phenyl}acrylamide
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3-[2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]ethyl]-1H-indole-2-carboxylic acid
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4-hydroxy-4-(1H-indol-2-yl)cyclohexa-2,5-dien-1-one
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(E)-N-hydroxy-3-[4-[[2-(6-hydroxy-2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide (CID 53361011) is (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide is CC(C)N(CCc1c(C(C)(C)O)[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is MRFBLUAPKSWGQC-BUHFOSPRSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)29(17-20-11-9-19(10-12-20)13-14-24(30)28-32)16-15-22-21-7-5-6-8-23(21)27-25(22)26(3,4)31/h5-14,18,27,31-32H,15-17H2,1-4H3,(H,28,30)/b14-13+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 435.57 g/mol, XLogP of 4.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-[2-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 53361011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).