N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide

C25H27ClN4O4 — CID 52939985

IUPACN-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCOCCOCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2c1
InChIInChI=1S/C25H27ClN4O4/c1-16-2-4-20-17(12-16)14-22(29-20)24(31)27-6-8-33-10-11-34-9-7-28-25(32)23-15-18-13-19(26)3-5-21(18)30-23/h2-5,12-15,29-30H,6-11H2,1H3,(H,27,31)(H,28,32)
InChIKeyAHZZVJKLSGUIDM-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.80
Rot. Bonds11

About N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide

N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 52939985) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID52939985
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC NameN-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCOCCOCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2c1
InChIInChI=1S/C25H27ClN4O4/c1-16-2-4-20-17(12-16)14-22(29-20)24(31)27-6-8-33-10-11-34-9-7-28-25(32)23-15-18-13-19(26)3-5-21(18)30-23/h2-5,12-15,29-30H,6-11H2,1H3,(H,27,31)(H,28,32)
InChIKeyAHZZVJKLSGUIDM-UHFFFAOYSA-N
XLogP3.80
TPSA108.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide (CID 52939985) is N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCCOCCOCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2c1.
What is the InChIKey of N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is AHZZVJKLSGUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-16-2-4-20-17(12-16)14-22(29-20)24(31)27-6-8-33-10-11-34-9-7-28-25(32)23-15-18-13-19(26)3-5-21(18)30-23/h2-5,12-15,29-30H,6-11H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide?
N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 3.80, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 52939985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).