2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium

C34H34N2OP+ — CID 118011322

IUPAC2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium
SMILESCc1ccc2cc(N(C)CC(=O)NCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C34H33N2OP/c1-27-18-19-29-25-30(21-20-28(29)24-27)36(2)26-34(37)35-22-23-38(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-21,24-25H,22-23,26H2,1-2H3/p+1
InChIKeyNFEYSQPCFMAZFD-UHFFFAOYSA-O
MW517.63 g/mol
LogP5.69
Rot. Bonds9

About 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium

2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium (PubChem CID 118011322) has the molecular formula C34H34N2OP+ and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium
PubChem CID118011322
Molecular FormulaC34H34N2OP+
Molecular Weight517.63 g/mol
Exact Mass517.24
IUPAC Name2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium
SMILESCc1ccc2cc(N(C)CC(=O)NCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C34H33N2OP/c1-27-18-19-29-25-30(21-20-28(29)24-27)36(2)26-34(37)35-22-23-38(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-21,24-25H,22-23,26H2,1-2H3/p+1
InChIKeyNFEYSQPCFMAZFD-UHFFFAOYSA-O
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium?
The IUPAC name of 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium (CID 118011322) is 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium is Cc1ccc2cc(N(C)CC(=O)NCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium?
The InChIKey is NFEYSQPCFMAZFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H33N2OP/c1-27-18-19-29-25-30(21-20-28(29)24-27)36(2)26-34(37)35-22-23-38(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-21,24-25H,22-23,26H2,1-2H3/p+1.
What are the key properties of 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium?
2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium has a molecular weight of 517.63 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-(6-methylnaphthalen-2-yl)amino]acetyl]amino]ethyl-triphenylphosphanium is sourced from PubChem (CID 118011322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).