2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide

C26H34Cl4N4O2 — CID 23730145

IUPAC2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESNCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
InChIInChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)
InChIKeyUXALQPRPQYILAB-UHFFFAOYSA-N
MW576.40 g/mol
LogP5.22
Rot. Bonds16

About 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide

2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide (PubChem CID 23730145) has the molecular formula C26H34Cl4N4O2 and a molecular weight of 576.40 g/mol. Its IUPAC name is 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide
PubChem CID23730145
Molecular FormulaC26H34Cl4N4O2
Molecular Weight576.40 g/mol
Exact Mass574.14
IUPAC Name2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESNCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
InChIInChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)
InChIKeyUXALQPRPQYILAB-UHFFFAOYSA-N
XLogP5.22
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
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 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide (CID 23730145) is 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide is NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O.
What is the InChIKey of 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The InChIKey is UXALQPRPQYILAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35).
What are the key properties of 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide?
2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide has a molecular weight of 576.40 g/mol, XLogP of 5.22, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-aminohexyl-[2-(2,4-dichlorophenyl)ethyl]amino]acetyl]-[2-(2,4-dichlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 23730145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).