N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide

C33H37NOP2 — CID 12025725

IUPACN,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37NOP2/c1-33(2,3)32(35)34(24-26-36(28-16-8-4-9-17-28)29-18-10-5-11-19-29)25-27-37(30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23H,24-27H2,1-3H3
InChIKeyWHCQFNOXVHNEFN-UHFFFAOYSA-N
MW525.61 g/mol
LogP6.13
Rot. Bonds10

About N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide

N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide (PubChem CID 12025725) has the molecular formula C33H37NOP2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide
PubChem CID12025725
Molecular FormulaC33H37NOP2
Molecular Weight525.61 g/mol
Exact Mass525.24
IUPAC NameN,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37NOP2/c1-33(2,3)32(35)34(24-26-36(28-16-8-4-9-17-28)29-18-10-5-11-19-29)25-27-37(30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23H,24-27H2,1-3H3
InChIKeyWHCQFNOXVHNEFN-UHFFFAOYSA-N
XLogP6.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 56.13
H-Bond Donors ≤ 50
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 N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide?
The IUPAC name of N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide (CID 12025725) is N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide?
The InChIKey is WHCQFNOXVHNEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NOP2/c1-33(2,3)32(35)34(24-26-36(28-16-8-4-9-17-28)29-18-10-5-11-19-29)25-27-37(30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23H,24-27H2,1-3H3.
What are the key properties of N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide?
N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide has a molecular weight of 525.61 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 12025725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).