N-(2-diphenylphosphanylethyl)propanamide

C17H20NOP — CID 57195628

IUPACN-(2-diphenylphosphanylethyl)propanamide
SMILESCCC(=O)NCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NOP/c1-2-17(19)18-13-14-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19)
InChIKeyIDGWODWHKYNLJF-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.65
Rot. Bonds6

About N-(2-diphenylphosphanylethyl)propanamide

N-(2-diphenylphosphanylethyl)propanamide (PubChem CID 57195628) has the molecular formula C17H20NOP and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2-diphenylphosphanylethyl)propanamide.

Molecular Properties

Compound NameN-(2-diphenylphosphanylethyl)propanamide
PubChem CID57195628
Molecular FormulaC17H20NOP
Molecular Weight285.33 g/mol
Exact Mass285.13
IUPAC NameN-(2-diphenylphosphanylethyl)propanamide
SMILESCCC(=O)NCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NOP/c1-2-17(19)18-13-14-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19)
InChIKeyIDGWODWHKYNLJF-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
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-(2-diphenylphosphanylethyl)propanamide?
The IUPAC name of N-(2-diphenylphosphanylethyl)propanamide (CID 57195628) is N-(2-diphenylphosphanylethyl)propanamide.
What is the SMILES notation for N-(2-diphenylphosphanylethyl)propanamide?
The canonical SMILES for N-(2-diphenylphosphanylethyl)propanamide is CCC(=O)NCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphanylethyl)propanamide?
The InChIKey is IDGWODWHKYNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NOP/c1-2-17(19)18-13-14-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19).
What are the key properties of N-(2-diphenylphosphanylethyl)propanamide?
N-(2-diphenylphosphanylethyl)propanamide has a molecular weight of 285.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylethyl)propanamide is sourced from PubChem (CID 57195628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).