N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide

C32H44N6O2Se2 — CID 5328101

IUPACN-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12
InChIInChI=1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyXZTHVVIRCUVGRE-UHFFFAOYSA-N
MW702.66 g/mol
LogP2.09
Rot. Bonds15

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

N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide (PubChem CID 5328101) has the molecular formula C32H44N6O2Se2 and a molecular weight of 702.66 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide
PubChem CID5328101
Molecular FormulaC32H44N6O2Se2
Molecular Weight702.66 g/mol
Exact Mass704.19
IUPAC NameN-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12
InChIInChI=1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyXZTHVVIRCUVGRE-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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 N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide (CID 5328101) is N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide is CCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide?
The InChIKey is XZTHVVIRCUVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide?
N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide has a molecular weight of 702.66 g/mol, XLogP of 2.09, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1-methylindol-2-yl]diselanyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 5328101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).