N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide

C30H40N6O2Se2 — CID 5328103

IUPACN-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12
InChIInChI=1S/C30H40N6O2Se2/c1-5-35(6-2)19-17-31-27(37)25-21-13-9-11-15-23(21)33-29(25)39-40-30-26(22-14-10-12-16-24(22)34-30)28(38)32-18-20-36(7-3)8-4/h9-16,33-34H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyDOBDKFHLOMDQHB-UHFFFAOYSA-N
MW674.61 g/mol
LogP2.07
Rot. Bonds15

About N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide

N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide (PubChem CID 5328103) has the molecular formula C30H40N6O2Se2 and a molecular weight of 674.61 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide
PubChem CID5328103
Molecular FormulaC30H40N6O2Se2
Molecular Weight674.61 g/mol
Exact Mass676.15
IUPAC NameN-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12
InChIInChI=1S/C30H40N6O2Se2/c1-5-35(6-2)19-17-31-27(37)25-21-13-9-11-15-23(21)33-29(25)39-40-30-26(22-14-10-12-16-24(22)34-30)28(38)32-18-20-36(7-3)8-4/h9-16,33-34H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyDOBDKFHLOMDQHB-UHFFFAOYSA-N
XLogP2.07
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.61
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide (CID 5328103) is N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide is CCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
The InChIKey is DOBDKFHLOMDQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2Se2/c1-5-35(6-2)19-17-31-27(37)25-21-13-9-11-15-23(21)33-29(25)39-40-30-26(22-14-10-12-16-24(22)34-30)28(38)32-18-20-36(7-3)8-4/h9-16,33-34H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide has a molecular weight of 674.61 g/mol, XLogP of 2.07, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[[3-[2-(diethylamino)ethylcarbamoyl]-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 5328103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).