1,3-bis(diphenylphosphanyl)-1,3-diethylurea

C29H30N2OP2 — CID 15497180

IUPAC1,3-bis(diphenylphosphanyl)-1,3-diethylurea
SMILESCCN(C(=O)N(CC)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2OP2/c1-3-30(33(25-17-9-5-10-18-25)26-19-11-6-12-20-26)29(32)31(4-2)34(27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3
InChIKeyBXYDUAVMWCBZEL-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.85
Rot. Bonds8

About 1,3-bis(diphenylphosphanyl)-1,3-diethylurea

1,3-bis(diphenylphosphanyl)-1,3-diethylurea (PubChem CID 15497180) has the molecular formula C29H30N2OP2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 1,3-bis(diphenylphosphanyl)-1,3-diethylurea.

Molecular Properties

Compound Name1,3-bis(diphenylphosphanyl)-1,3-diethylurea
PubChem CID15497180
Molecular FormulaC29H30N2OP2
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC Name1,3-bis(diphenylphosphanyl)-1,3-diethylurea
SMILESCCN(C(=O)N(CC)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2OP2/c1-3-30(33(25-17-9-5-10-18-25)26-19-11-6-12-20-26)29(32)31(4-2)34(27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3
InChIKeyBXYDUAVMWCBZEL-UHFFFAOYSA-N
XLogP5.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dppma
CID 11181471
[2-Oxo-3-(triphenylphosphaniumylmethyl)-1,3-diazinan-1-yl]methyl-triphenylphosphanium;chloride
CID 54610485
(5-diphenylphosphanyl-1,3-dimethyl-2H-imidazol-4-yl)-diphenylphosphane
CID 123175296
1,3-Bis(diphenylphosphino)-2-imidazolidinone
CID 129696065
1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
N,N-bis(2-diphenylphosphanylethyl)formamide
CID 53884559
N,N-bis(2-diphenylphosphanylethyl)acetamide
CID 59163449
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine
CID 71130880
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-di(propan-2-yl)ethane-1,1-diamine
CID 71130881
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dimethylethane-1,1-diamine
CID 71130902
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-diethylethane-1,1-diamine
CID 71130906
N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine
CID 71133330

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(diphenylphosphanyl)-1,3-diethylurea?
The IUPAC name of 1,3-bis(diphenylphosphanyl)-1,3-diethylurea (CID 15497180) is 1,3-bis(diphenylphosphanyl)-1,3-diethylurea.
What is the SMILES notation for 1,3-bis(diphenylphosphanyl)-1,3-diethylurea?
The canonical SMILES for 1,3-bis(diphenylphosphanyl)-1,3-diethylurea is CCN(C(=O)N(CC)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis(diphenylphosphanyl)-1,3-diethylurea?
The InChIKey is BXYDUAVMWCBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2OP2/c1-3-30(33(25-17-9-5-10-18-25)26-19-11-6-12-20-26)29(32)31(4-2)34(27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(diphenylphosphanyl)-1,3-diethylurea?
1,3-bis(diphenylphosphanyl)-1,3-diethylurea has a molecular weight of 484.52 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(diphenylphosphanyl)-1,3-diethylurea is sourced from PubChem (CID 15497180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).