N-(2-diethylphosphanyl-1-phenylethyl)acetamide

C14H22NOP — CID 175089746

IUPACN-(2-diethylphosphanyl-1-phenylethyl)acetamide
SMILESCCP(CC)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C14H22NOP/c1-4-17(5-2)11-14(15-12(3)16)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,15,16)
InChIKeyBSKHEDCTAYYAJY-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.39
Rot. Bonds6

About N-(2-diethylphosphanyl-1-phenylethyl)acetamide

N-(2-diethylphosphanyl-1-phenylethyl)acetamide (PubChem CID 175089746) has the molecular formula C14H22NOP and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-diethylphosphanyl-1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-diethylphosphanyl-1-phenylethyl)acetamide
PubChem CID175089746
Molecular FormulaC14H22NOP
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC NameN-(2-diethylphosphanyl-1-phenylethyl)acetamide
SMILESCCP(CC)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C14H22NOP/c1-4-17(5-2)11-14(15-12(3)16)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,15,16)
InChIKeyBSKHEDCTAYYAJY-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
CID 57067406
CID 57067406
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
N-(2-benzylsulfanyl-1-phenylethyl)acetamide
CID 13447277
N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide
CID 70953246

Frequently Asked Questions

What is the IUPAC name of N-(2-diethylphosphanyl-1-phenylethyl)acetamide?
The IUPAC name of N-(2-diethylphosphanyl-1-phenylethyl)acetamide (CID 175089746) is N-(2-diethylphosphanyl-1-phenylethyl)acetamide.
What is the SMILES notation for N-(2-diethylphosphanyl-1-phenylethyl)acetamide?
The canonical SMILES for N-(2-diethylphosphanyl-1-phenylethyl)acetamide is CCP(CC)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of N-(2-diethylphosphanyl-1-phenylethyl)acetamide?
The InChIKey is BSKHEDCTAYYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NOP/c1-4-17(5-2)11-14(15-12(3)16)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,15,16).
What are the key properties of N-(2-diethylphosphanyl-1-phenylethyl)acetamide?
N-(2-diethylphosphanyl-1-phenylethyl)acetamide has a molecular weight of 251.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethylphosphanyl-1-phenylethyl)acetamide is sourced from PubChem (CID 175089746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).