1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide

C21H26NO2P — CID 1046768

IUPAC1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C21H26NO2P/c1-3-22(4-2)20(23)21(16-11-17-21)25(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3
InChIKeyMGWNSTPKSZCDFT-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.79
Rot. Bonds6

About 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide

1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide (PubChem CID 1046768) has the molecular formula C21H26NO2P and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide
PubChem CID1046768
Molecular FormulaC21H26NO2P
Molecular Weight355.42 g/mol
Exact Mass355.17
IUPAC Name1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide
SMILESCCN(CC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C21H26NO2P/c1-3-22(4-2)20(23)21(16-11-17-21)25(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3
InChIKeyMGWNSTPKSZCDFT-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide?
The IUPAC name of 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide (CID 1046768) is 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide is CCN(CC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CCC1.
What is the InChIKey of 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide?
The InChIKey is MGWNSTPKSZCDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26NO2P/c1-3-22(4-2)20(23)21(16-11-17-21)25(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3.
What are the key properties of 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide?
1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-N,N-diethylcyclobutane-1-carboxamide is sourced from PubChem (CID 1046768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).