3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide

C22H25N3O2 — CID 109055657

IUPAC3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H25N3O2/c1-3-25(4-2)22(27)17-9-7-8-16(14-17)21(26)23-13-12-18-15-24-20-11-6-5-10-19(18)20/h5-11,14-15,24H,3-4,12-13H2,1-2H3,(H,23,26)
InChIKeyNJKXDJMVMKTZQA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.62
Rot. Bonds7

About 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109055657) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109055657
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H25N3O2/c1-3-25(4-2)22(27)17-9-7-8-16(14-17)21(26)23-13-12-18-15-24-20-11-6-5-10-19(18)20/h5-11,14-15,24H,3-4,12-13H2,1-2H3,(H,23,26)
InChIKeyNJKXDJMVMKTZQA-UHFFFAOYSA-N
XLogP3.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide (CID 109055657) is 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is NJKXDJMVMKTZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-25(4-2)22(27)17-9-7-8-16(14-17)21(26)23-13-12-18-15-24-20-11-6-5-10-19(18)20/h5-11,14-15,24H,3-4,12-13H2,1-2H3,(H,23,26).
What are the key properties of 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).