N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide

C21H21N3O — CID 84578480

IUPACN-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCc3c[nH]c4ccccc34)c(C)c2c1
InChIInChI=1S/C21H21N3O/c1-13-7-8-19-17(11-13)14(2)20(24-19)21(25)22-10-9-15-12-23-18-6-4-3-5-16(15)18/h3-8,11-12,23-24H,9-10H2,1-2H3,(H,22,25)
InChIKeyIQKIDNHPFHBMFT-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.24
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 84578480) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
PubChem CID84578480
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCc3c[nH]c4ccccc34)c(C)c2c1
InChIInChI=1S/C21H21N3O/c1-13-7-8-19-17(11-13)14(2)20(24-19)21(25)22-10-9-15-12-23-18-6-4-3-5-16(15)18/h3-8,11-12,23-24H,9-10H2,1-2H3,(H,22,25)
InChIKeyIQKIDNHPFHBMFT-UHFFFAOYSA-N
XLogP4.24
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117378

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide (CID 84578480) is N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCCc3c[nH]c4ccccc34)c(C)c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is IQKIDNHPFHBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13-7-8-19-17(11-13)14(2)20(24-19)21(25)22-10-9-15-12-23-18-6-4-3-5-16(15)18/h3-8,11-12,23-24H,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 84578480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).