2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium

C33H38NOP2+ — CID 58362009

IUPAC2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium
SMILESCCNC(=O)CCCC[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37NOP2/c1-2-34-33(35)25-15-16-27-37(31-21-11-5-12-22-31,32-23-13-6-14-24-32)28-26-36(29-17-7-3-8-18-29)30-19-9-4-10-20-30/h3-14,17-24H,2,15-16,25-28H2,1H3/p+1
InChIKeyHOZPGFJWZWHKRK-UHFFFAOYSA-O
MW526.62 g/mol
LogP6.09
Rot. Bonds13

About 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium

2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium (PubChem CID 58362009) has the molecular formula C33H38NOP2+ and a molecular weight of 526.62 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium.

Molecular Properties

Compound Name2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium
PubChem CID58362009
Molecular FormulaC33H38NOP2+
Molecular Weight526.62 g/mol
Exact Mass526.24
IUPAC Name2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium
SMILESCCNC(=O)CCCC[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37NOP2/c1-2-34-33(35)25-15-16-27-37(31-21-11-5-12-22-31,32-23-13-6-14-24-32)28-26-36(29-17-7-3-8-18-29)30-19-9-4-10-20-30/h3-14,17-24H,2,15-16,25-28H2,1H3/p+1
InChIKeyHOZPGFJWZWHKRK-UHFFFAOYSA-O
XLogP6.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium with MolForge

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

Launch Full Analysis

Related Compounds

[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium
CID 102474793
N-ethyl-6-phenylhexanamide
CID 70953257
N,N'-diethylnonanediamide
CID 89048639
N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide
CID 58773791
dibutyl(diphenyl)phosphanium acetate
CID 175126933
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride
CID 54604618
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
10-diphenylphosphanyldecanoic acid
CID 71402645
8-diphenylphosphanyloctanoic acid
CID 20679688
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium?
The IUPAC name of 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium (CID 58362009) is 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium.
What is the SMILES notation for 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium?
The canonical SMILES for 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium is CCNC(=O)CCCC[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium?
The InChIKey is HOZPGFJWZWHKRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H37NOP2/c1-2-34-33(35)25-15-16-27-37(31-21-11-5-12-22-31,32-23-13-6-14-24-32)28-26-36(29-17-7-3-8-18-29)30-19-9-4-10-20-30/h3-14,17-24H,2,15-16,25-28H2,1H3/p+1.
What are the key properties of 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium?
2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium has a molecular weight of 526.62 g/mol, XLogP of 6.09, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium is sourced from PubChem (CID 58362009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).