(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide

C27H42N2O — CID 171117124

IUPAC(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
SMILESCCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C27H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27(30)28-22-21-24-23-29-26-19-17-16-18-25(24)26/h8-9,16-19,23,29H,2-7,10-15,20-22H2,1H3,(H,28,30)/b9-8-
InChIKeyJDGBCGWADOJFRG-HJWRWDBZSA-N
MW410.65 g/mol
LogP7.47
Rot. Bonds17

About (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide

(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide (PubChem CID 171117124) has the molecular formula C27H42N2O and a molecular weight of 410.65 g/mol. Its IUPAC name is (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
PubChem CID171117124
Molecular FormulaC27H42N2O
Molecular Weight410.65 g/mol
Exact Mass410.33
IUPAC Name(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
SMILESCCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C27H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27(30)28-22-21-24-23-29-26-19-17-16-18-25(24)26/h8-9,16-19,23,29H,2-7,10-15,20-22H2,1H3,(H,28,30)/b9-8-
InChIKeyJDGBCGWADOJFRG-HJWRWDBZSA-N
XLogP7.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
(6Z,9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-6,9,12-trienamide
CID 24749163
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
CID 24749267
1-[2-(1H-indol-3-yl)ethylcarbamoyloxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 172515400
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
(5E,8E,11E,14E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
CID 14420957
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
4-[[3-[2-[[(E)-icos-13-enoyl]amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 143884111

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide?
The IUPAC name of (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide (CID 171117124) is (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide?
The canonical SMILES for (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide is CCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide?
The InChIKey is JDGBCGWADOJFRG-HJWRWDBZSA-N. The full InChI is InChI=1S/C27H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27(30)28-22-21-24-23-29-26-19-17-16-18-25(24)26/h8-9,16-19,23,29H,2-7,10-15,20-22H2,1H3,(H,28,30)/b9-8-.
What are the key properties of (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide?
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide has a molecular weight of 410.65 g/mol, XLogP of 7.47, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide is sourced from PubChem (CID 171117124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).