(E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide

C28H27N3O3 — CID 44562176

IUPAC(E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C28H27N3O3/c32-27(14-11-21-7-3-1-4-8-21)31-19-28(33)29-16-15-23-18-30-26-13-12-24(17-25(23)26)34-20-22-9-5-2-6-10-22/h1-14,17-18,30H,15-16,19-20H2,(H,29,33)(H,31,32)/b14-11+
InChIKeyNZODCJRMQFJECS-SDNWHVSQSA-N
MW453.54 g/mol
LogP4.24
Rot. Bonds10

About (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide (PubChem CID 44562176) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide
PubChem CID44562176
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name(E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C28H27N3O3/c32-27(14-11-21-7-3-1-4-8-21)31-19-28(33)29-16-15-23-18-30-26-13-12-24(17-25(23)26)34-20-22-9-5-2-6-10-22/h1-14,17-18,30H,15-16,19-20H2,(H,29,33)(H,31,32)/b14-11+
InChIKeyNZODCJRMQFJECS-SDNWHVSQSA-N
XLogP4.24
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide (CID 44562176) is (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide?
The InChIKey is NZODCJRMQFJECS-SDNWHVSQSA-N. The full InChI is InChI=1S/C28H27N3O3/c32-27(14-11-21-7-3-1-4-8-21)31-19-28(33)29-16-15-23-18-30-26-13-12-24(17-25(23)26)34-20-22-9-5-2-6-10-22/h1-14,17-18,30H,15-16,19-20H2,(H,29,33)(H,31,32)/b14-11+.
What are the key properties of (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide has a molecular weight of 453.54 g/mol, XLogP of 4.24, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 44562176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).