N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide

C20H28NO5PS — CID 16664922

IUPACN-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide
SMILESCCOP(=O)(OCC)C(CCN(OCc1ccccc1)C(C)=O)c1cccs1
InChIInChI=1S/C20H28NO5PS/c1-4-25-27(23,26-5-2)19(20-12-9-15-28-20)13-14-21(17(3)22)24-16-18-10-7-6-8-11-18/h6-12,15,19H,4-5,13-14,16H2,1-3H3
InChIKeyOMLTZKWFIPIISM-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.43
Rot. Bonds12

About N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide

N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide (PubChem CID 16664922) has the molecular formula C20H28NO5PS and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide
PubChem CID16664922
Molecular FormulaC20H28NO5PS
Molecular Weight425.49 g/mol
Exact Mass425.14
IUPAC NameN-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide
SMILESCCOP(=O)(OCC)C(CCN(OCc1ccccc1)C(C)=O)c1cccs1
InChIInChI=1S/C20H28NO5PS/c1-4-25-27(23,26-5-2)19(20-12-9-15-28-20)13-14-21(17(3)22)24-16-18-10-7-6-8-11-18/h6-12,15,19H,4-5,13-14,16H2,1-3H3
InChIKeyOMLTZKWFIPIISM-UHFFFAOYSA-N
XLogP5.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-diethoxyphosphoryl-3-fluoropropyl)-N-phenylmethoxycarbamate
CID 46867284
N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
CID 174340138
N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
CID 11315702
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
N-[3-bis(phenylmethoxy)phosphoryl-3-(triazol-1-yl)propyl]-N-phenylmethoxyacetamide
CID 71546039
N-(3-oxopropyl)-N-phenylmethoxyacetamide
CID 71545702
(E)-5-diethoxyphosphoryl-1,5-dithiophen-2-ylpent-1-en-3-one
CID 132500067
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
4-[(Z)-3-[acetyl(phenylmethoxy)amino]-1-diethoxyphosphorylprop-1-enyl]benzamide
CID 16664685
5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide
CID 10100838
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole
CID 15877643

Frequently Asked Questions

What is the IUPAC name of N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide?
The IUPAC name of N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide (CID 16664922) is N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide.
What is the SMILES notation for N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide?
The canonical SMILES for N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide is CCOP(=O)(OCC)C(CCN(OCc1ccccc1)C(C)=O)c1cccs1.
What is the InChIKey of N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide?
The InChIKey is OMLTZKWFIPIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO5PS/c1-4-25-27(23,26-5-2)19(20-12-9-15-28-20)13-14-21(17(3)22)24-16-18-10-7-6-8-11-18/h6-12,15,19H,4-5,13-14,16H2,1-3H3.
What are the key properties of N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide?
N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide has a molecular weight of 425.49 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 16664922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).