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

C23H27N3O2 — CID 11068867

IUPAC(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
SMILESCC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C23H27N3O2/c1-17(2)26(14-13-20-15-24-22-6-4-3-5-21(20)22)16-19-9-7-18(8-10-19)11-12-23(27)25-28/h3-12,15,17,24,28H,13-14,16H2,1-2H3,(H,25,27)/b12-11+
InChIKeyILAZEUQGANOTAY-VAWYXSNFSA-N
MW377.49 g/mol
LogP4.14
Rot. Bonds8

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

(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide (PubChem CID 11068867) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
PubChem CID11068867
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
SMILESCC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C23H27N3O2/c1-17(2)26(14-13-20-15-24-22-6-4-3-5-21(20)22)16-19-9-7-18(8-10-19)11-12-23(27)25-28/h3-12,15,17,24,28H,13-14,16H2,1-2H3,(H,25,27)/b12-11+
InChIKeyILAZEUQGANOTAY-VAWYXSNFSA-N
XLogP4.14
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide (CID 11068867) is (E)-N-hydroxy-3-[4-[[2-(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-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide is CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is ILAZEUQGANOTAY-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(2)26(14-13-20-15-24-22-6-4-3-5-21(20)22)16-19-9-7-18(8-10-19)11-12-23(27)25-28/h3-12,15,17,24,28H,13-14,16H2,1-2H3,(H,25,27)/b12-11+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 377.49 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 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-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11068867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).