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

C16H18N2O — CID 47101909

IUPAC(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-3-4-9-16(19)17-11-10-13-12-18-15-8-6-5-7-14(13)15/h2-9,12,18H,10-11H2,1H3,(H,17,19)/b3-2+,9-4+
InChIKeyRHHFEABJCTXYBG-DSXPNFDZSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds5

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

(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide (PubChem CID 47101909) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
PubChem CID47101909
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-3-4-9-16(19)17-11-10-13-12-18-15-8-6-5-7-14(13)15/h2-9,12,18H,10-11H2,1H3,(H,17,19)/b3-2+,9-4+
InChIKeyRHHFEABJCTXYBG-DSXPNFDZSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 17426636
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
CID 118478788
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide (CID 47101909) is (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide?
The InChIKey is RHHFEABJCTXYBG-DSXPNFDZSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-4-9-16(19)17-11-10-13-12-18-15-8-6-5-7-14(13)15/h2-9,12,18H,10-11H2,1H3,(H,17,19)/b3-2+,9-4+.
What are the key properties of (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide has a molecular weight of 254.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 47101909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).