(2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide

C23H24N2O2 — CID 134057616

IUPAC(2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O2/c1-3-4-5-10-23(26)25-15-20(17-11-13-18(27-2)14-12-17)21-16-24-22-9-7-6-8-19(21)22/h3-14,16,20,24H,15H2,1-2H3,(H,25,26)/b4-3+,10-5+
InChIKeyKZNHYCAXOZCRDG-COBAKMAKSA-N
MW360.46 g/mol
LogP4.56
Rot. Bonds7

About (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide

(2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide (PubChem CID 134057616) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide
PubChem CID134057616
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O2/c1-3-4-5-10-23(26)25-15-20(17-11-13-18(27-2)14-12-17)21-16-24-22-9-7-6-8-19(21)22/h3-14,16,20,24H,15H2,1-2H3,(H,25,26)/b4-3+,10-5+
InChIKeyKZNHYCAXOZCRDG-COBAKMAKSA-N
XLogP4.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide (CID 134057616) is (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
The InChIKey is KZNHYCAXOZCRDG-COBAKMAKSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-4-5-10-23(26)25-15-20(17-11-13-18(27-2)14-12-17)21-16-24-22-9-7-6-8-19(21)22/h3-14,16,20,24H,15H2,1-2H3,(H,25,26)/b4-3+,10-5+.
What are the key properties of (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide has a molecular weight of 360.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 134057616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).