N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide

C10H20NO4P — CID 2252018

IUPACN-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CP(=O)(OCC)OCC)C(C)=O
InChIInChI=1S/C10H20NO4P/c1-5-8-11(10(4)12)9-16(13,14-6-2)15-7-3/h5H,1,6-9H2,2-4H3
InChIKeyBUTIJOUJQHDJIH-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.24
Rot. Bonds8

About N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide

N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide (PubChem CID 2252018) has the molecular formula C10H20NO4P and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
PubChem CID2252018
Molecular FormulaC10H20NO4P
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC NameN-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CP(=O)(OCC)OCC)C(C)=O
InChIInChI=1S/C10H20NO4P/c1-5-8-11(10(4)12)9-16(13,14-6-2)15-7-3/h5H,1,6-9H2,2-4H3
InChIKeyBUTIJOUJQHDJIH-UHFFFAOYSA-N
XLogP2.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
CID 2173614
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
3-diethoxyphosphorylprop-1-ene
CID 573014
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
diethoxyphosphorylmethyl prop-2-enyl carbonate
CID 23420194
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
CID 12711206
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide (CID 2252018) is N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide is C=CCN(CP(=O)(OCC)OCC)C(C)=O.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide?
The InChIKey is BUTIJOUJQHDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO4P/c1-5-8-11(10(4)12)9-16(13,14-6-2)15-7-3/h5H,1,6-9H2,2-4H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide?
N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide has a molecular weight of 249.25 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 2252018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).