N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide

C28H24N4O — CID 101249218

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2c[nH]c3ccccc23)c2ccccc12)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H24N4O/c33-28(29-14-13-19-16-30-24-10-4-1-7-21(19)24)15-20-18-32(26-12-6-3-8-22(20)26)27-17-31-25-11-5-2-9-23(25)27/h1-12,16-18,30-31H,13-15H2,(H,29,33)
InChIKeyGIFRLRLKEKMDML-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.49
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide (PubChem CID 101249218) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide
PubChem CID101249218
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2c[nH]c3ccccc23)c2ccccc12)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H24N4O/c33-28(29-14-13-19-16-30-24-10-4-1-7-21(19)24)15-20-18-32(26-12-6-3-8-22(20)26)27-17-31-25-11-5-2-9-23(25)27/h1-12,16-18,30-31H,13-15H2,(H,29,33)
InChIKeyGIFRLRLKEKMDML-UHFFFAOYSA-N
XLogP5.49
TPSA65.61 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
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-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528878
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide (CID 101249218) is N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide is O=C(Cc1cn(-c2c[nH]c3ccccc23)c2ccccc12)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide?
The InChIKey is GIFRLRLKEKMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c33-28(29-14-13-19-16-30-24-10-4-1-7-21(19)24)15-20-18-32(26-12-6-3-8-22(20)26)27-17-31-25-11-5-2-9-23(25)27/h1-12,16-18,30-31H,13-15H2,(H,29,33).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide has a molecular weight of 432.53 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide is sourced from PubChem (CID 101249218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).