2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide

C15H22NO4P — CID 155931459

IUPAC2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide
SMILESCCOP(=O)(OCC)C(C(=O)Nc1ccccc1)C1CC1
InChIInChI=1S/C15H22NO4P/c1-3-19-21(18,20-4-2)14(12-10-11-12)15(17)16-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,16,17)
InChIKeyVFTFAIMHACLHJD-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.67
Rot. Bonds8

About 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide

2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide (PubChem CID 155931459) has the molecular formula C15H22NO4P and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide
PubChem CID155931459
Molecular FormulaC15H22NO4P
Molecular Weight311.32 g/mol
Exact Mass311.13
IUPAC Name2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide
SMILESCCOP(=O)(OCC)C(C(=O)Nc1ccccc1)C1CC1
InChIInChI=1S/C15H22NO4P/c1-3-19-21(18,20-4-2)14(12-10-11-12)15(17)16-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,16,17)
InChIKeyVFTFAIMHACLHJD-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
CID 4210354
2-bromo-2-cyclopropyl-N-phenylacetamide
CID 57176041
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
4-anilino-2-cyclopropyl-4-oxobutanoic acid
CID 165476532
2-nonoxy-3-oxo-N-phenylbutanamide
CID 20558460
N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide
CID 74225952
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
2,4-diethoxy-3-oxo-N-phenylbutanamide
CID 139998957
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide?
The IUPAC name of 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide (CID 155931459) is 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide.
What is the SMILES notation for 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide?
The canonical SMILES for 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide is CCOP(=O)(OCC)C(C(=O)Nc1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide?
The InChIKey is VFTFAIMHACLHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO4P/c1-3-19-21(18,20-4-2)14(12-10-11-12)15(17)16-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide?
2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide has a molecular weight of 311.32 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide is sourced from PubChem (CID 155931459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).