2-diphenylphosphanyl-N,N-diethylacetamide

C18H22NOP — CID 22184277

IUPAC2-diphenylphosphanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c1-3-19(4-2)18(20)15-21(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyDSBQGPYRQSXRNR-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.99
Rot. Bonds6

About 2-diphenylphosphanyl-N,N-diethylacetamide

2-diphenylphosphanyl-N,N-diethylacetamide (PubChem CID 22184277) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N,N-diethylacetamide
PubChem CID22184277
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name2-diphenylphosphanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c1-3-19(4-2)18(20)15-21(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyDSBQGPYRQSXRNR-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.99
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

2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide
CID 158335
N-Methoxy-N-methyl(triphenylphosphoranylidene)acetamide
CID 2773656
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655
Ethanamine, 2-(diphenylphosphinyl)-n,n-dimethyl-
CID 796914

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N,N-diethylacetamide?
The IUPAC name of 2-diphenylphosphanyl-N,N-diethylacetamide (CID 22184277) is 2-diphenylphosphanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-diphenylphosphanyl-N,N-diethylacetamide?
The canonical SMILES for 2-diphenylphosphanyl-N,N-diethylacetamide is CCN(CC)C(=O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N,N-diethylacetamide?
The InChIKey is DSBQGPYRQSXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NOP/c1-3-19(4-2)18(20)15-21(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-N,N-diethylacetamide?
2-diphenylphosphanyl-N,N-diethylacetamide has a molecular weight of 299.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N,N-diethylacetamide is sourced from PubChem (CID 22184277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).