1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide

C32H44N6O2Se2 — CID 5328104

IUPAC1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide
SMILESCCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc21
InChIInChI=1S/C32H44N6O2Se2/c1-7-35(8-2)19-21-37-25-17-13-11-15-23(25)27(29(39)33-5)31(37)41-42-32-28(30(40)34-6)24-16-12-14-18-26(24)38(32)22-20-36(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyRHQWHANZNHLOIO-UHFFFAOYSA-N
MW702.66 g/mol
LogP2.27
Rot. Bonds15

About 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide

1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide (PubChem CID 5328104) has the molecular formula C32H44N6O2Se2 and a molecular weight of 702.66 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide
PubChem CID5328104
Molecular FormulaC32H44N6O2Se2
Molecular Weight702.66 g/mol
Exact Mass704.19
IUPAC Name1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide
SMILESCCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc21
InChIInChI=1S/C32H44N6O2Se2/c1-7-35(8-2)19-21-37-25-17-13-11-15-23(25)27(29(39)33-5)31(37)41-42-32-28(30(40)34-6)24-16-12-14-18-26(24)38(32)22-20-36(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyRHQWHANZNHLOIO-UHFFFAOYSA-N
XLogP2.27
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.66
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide (CID 5328104) is 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide is CCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide?
The InChIKey is RHQWHANZNHLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N6O2Se2/c1-7-35(8-2)19-21-37-25-17-13-11-15-23(25)27(29(39)33-5)31(37)41-42-32-28(30(40)34-6)24-16-12-14-18-26(24)38(32)22-20-36(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40).
What are the key properties of 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide?
1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide has a molecular weight of 702.66 g/mol, XLogP of 2.27, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2-[[1-[2-(diethylamino)ethyl]-3-(methylcarbamoyl)indol-2-yl]diselanyl]-N-methylindole-3-carboxamide is sourced from PubChem (CID 5328104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).