1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea

C23H34N2OP2 — CID 15105654

IUPAC1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
SMILESCN(C(=O)N(C)P(c1ccccc1)C(C)(C)C)P(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34N2OP2/c1-22(2,3)27(19-15-11-9-12-16-19)24(7)21(26)25(8)28(23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyALTDBXFYRHJRDH-UHFFFAOYSA-N
MW416.49 g/mol
LogP6.01
Rot. Bonds4

About 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea

1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea (PubChem CID 15105654) has the molecular formula C23H34N2OP2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
PubChem CID15105654
Molecular FormulaC23H34N2OP2
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
SMILESCN(C(=O)N(C)P(c1ccccc1)C(C)(C)C)P(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34N2OP2/c1-22(2,3)27(19-15-11-9-12-16-19)24(7)21(26)25(8)28(23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyALTDBXFYRHJRDH-UHFFFAOYSA-N
XLogP6.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 56.01
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

1,4,2,3-Diazadiphospholidin-5-one, 1,4-dimethyl-2,3-diphenyl-, 2-oxide
CID 354216
1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
2-diphenylphosphanyl-1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethyl-1lambda5,3lambda5-diphosphacyclobuta-1,3-diene-1,1,3,3-tetramine
CID 134906744
2-Fluoro-1,3-dimethyl-2,2-diphenyl-1,3,2lambda5-diazaphosphetidin-4-one
CID 21732319
1,3-Bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
CID 15105656
Benzene;1,3-dimethylurea;ethane
CID 90938222
Benzene;1,3-dimethylurea;ethane
CID 91039129
1,1-Dimethylurea;triphenylphosphane
CID 174899440
Carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium
CID 11966785
Urea, N,N'-bis(diphenylphosphino)-N,N'-dimethyl-
CID 12127075
1,3,6,8-Tetramethyl-4,5-diphenyl-1,3,6,8-tetraza-4lambda5,5-diphosphaspiro[3.4]octane-2,7-dione
CID 12592282
4-Diphenylphosphanyl-1,3,5,7-tetramethyl-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptane-2,6-dione
CID 15092765

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea?
The IUPAC name of 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea (CID 15105654) is 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea.
What is the SMILES notation for 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea?
The canonical SMILES for 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea is CN(C(=O)N(C)P(c1ccccc1)C(C)(C)C)P(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea?
The InChIKey is ALTDBXFYRHJRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2OP2/c1-22(2,3)27(19-15-11-9-12-16-19)24(7)21(26)25(8)28(23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3.
What are the key properties of 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea?
1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea has a molecular weight of 416.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea is sourced from PubChem (CID 15105654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).