4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C38H38N2OP2 — CID 87447114

IUPAC4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H38N2OP2/c41-38(39-27-26-31-16-6-1-7-17-31)40-29-37(43(35-22-12-4-13-23-35)36-24-14-5-15-25-36)28-32(40)30-42(33-18-8-2-9-19-33)34-20-10-3-11-21-34/h1-25,32,37H,26-30H2,(H,39,41)
InChIKeyFZBLOZZCIMEPRT-UHFFFAOYSA-N
MW600.68 g/mol
LogP6.65
Rot. Bonds10

About 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide

4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 87447114) has the molecular formula C38H38N2OP2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID87447114
Molecular FormulaC38H38N2OP2
Molecular Weight600.68 g/mol
Exact Mass600.25
IUPAC Name4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H38N2OP2/c41-38(39-27-26-31-16-6-1-7-17-31)40-29-37(43(35-22-12-4-13-23-35)36-24-14-5-15-25-36)28-32(40)30-42(33-18-8-2-9-19-33)34-20-10-3-11-21-34/h1-25,32,37H,26-30H2,(H,39,41)
InChIKeyFZBLOZZCIMEPRT-UHFFFAOYSA-N
XLogP6.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 87447114) is 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is FZBLOZZCIMEPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2OP2/c41-38(39-27-26-31-16-6-1-7-17-31)40-29-37(43(35-22-12-4-13-23-35)36-24-14-5-15-25-36)28-32(40)30-42(33-18-8-2-9-19-33)34-20-10-3-11-21-34/h1-25,32,37H,26-30H2,(H,39,41).
What are the key properties of 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 600.68 g/mol, XLogP of 6.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87447114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).