N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide

C43H40N2O2P2 — CID 12969627

IUPACN-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
SMILESCC(=O)N(CCCN(C(C)=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H40N2O2P2/c1-34(46)44(40-28-15-17-30-42(40)48(36-20-7-3-8-21-36)37-22-9-4-10-23-37)32-19-33-45(35(2)47)41-29-16-18-31-43(41)49(38-24-11-5-12-25-38)39-26-13-6-14-27-39/h3-18,20-31H,19,32-33H2,1-2H3
InChIKeyLOJTUKUARYLKEP-UHFFFAOYSA-N
MW678.75 g/mol
LogP7.00
Rot. Bonds12

About N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide

N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide (PubChem CID 12969627) has the molecular formula C43H40N2O2P2 and a molecular weight of 678.75 g/mol. Its IUPAC name is N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
PubChem CID12969627
Molecular FormulaC43H40N2O2P2
Molecular Weight678.75 g/mol
Exact Mass678.26
IUPAC NameN-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
SMILESCC(=O)N(CCCN(C(C)=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H40N2O2P2/c1-34(46)44(40-28-15-17-30-42(40)48(36-20-7-3-8-21-36)37-22-9-4-10-23-37)32-19-33-45(35(2)47)41-29-16-18-31-43(41)49(38-24-11-5-12-25-38)39-26-13-6-14-27-39/h3-18,20-31H,19,32-33H2,1-2H3
InChIKeyLOJTUKUARYLKEP-UHFFFAOYSA-N
XLogP7.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.75
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
CID 12969629
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
N,N-dimethylacetamide;triphenylphosphane
CID 88649560
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
propan-2-one;triphenylphosphane;hydrate
CID 118484852
2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
CID 102355584
2-[acetyl-[2-(dimethylamino)ethyl]amino]benzoic acid
CID 125468178
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
gold(3+);triphenylphosphane;triacetate
CID 160881940

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide?
The IUPAC name of N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide (CID 12969627) is N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide.
What is the SMILES notation for N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide?
The canonical SMILES for N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide is CC(=O)N(CCCN(C(C)=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide?
The InChIKey is LOJTUKUARYLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2O2P2/c1-34(46)44(40-28-15-17-30-42(40)48(36-20-7-3-8-21-36)37-22-9-4-10-23-37)32-19-33-45(35(2)47)41-29-16-18-31-43(41)49(38-24-11-5-12-25-38)39-26-13-6-14-27-39/h3-18,20-31H,19,32-33H2,1-2H3.
What are the key properties of N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide?
N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide has a molecular weight of 678.75 g/mol, XLogP of 7.00, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide is sourced from PubChem (CID 12969627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).