2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

C27H24N2O — CID 24555614

IUPAC2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C27H24N2O/c30-26(14-17-15-28-25-12-6-5-7-19(17)25)29-16-18-13-24-20-8-1-3-10-22(20)27(18)23-11-4-2-9-21(23)24/h1-12,15,18,24,27-28H,13-14,16H2,(H,29,30)
InChIKeyXZMOMOJGLXAERL-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.12
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (PubChem CID 24555614) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
PubChem CID24555614
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C27H24N2O/c30-26(14-17-15-28-25-12-6-5-7-19(17)25)29-16-18-13-24-20-8-1-3-10-22(20)27(18)23-11-4-2-9-21(23)24/h1-12,15,18,24,27-28H,13-14,16H2,(H,29,30)
InChIKeyXZMOMOJGLXAERL-UHFFFAOYSA-N
XLogP5.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (CID 24555614) is 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The InChIKey is XZMOMOJGLXAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c30-26(14-17-15-28-25-12-6-5-7-19(17)25)29-16-18-13-24-20-8-1-3-10-22(20)27(18)23-11-4-2-9-21(23)24/h1-12,15,18,24,27-28H,13-14,16H2,(H,29,30).
What are the key properties of 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is sourced from PubChem (CID 24555614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).