2-diethoxyphosphoryl-N,N-diethylacetamide

C10H22NO4P — CID 13124144

IUPAC2-diethoxyphosphoryl-N,N-diethylacetamide
SMILESCCOP(=O)(CC(=O)N(CC)CC)OCC
InChIInChI=1S/C10H22NO4P/c1-5-11(6-2)10(12)9-16(13,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKeyWBLDKEWTTNXBRQ-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.12
Rot. Bonds8

About 2-diethoxyphosphoryl-N,N-diethylacetamide

2-diethoxyphosphoryl-N,N-diethylacetamide (PubChem CID 13124144) has the molecular formula C10H22NO4P and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N,N-diethylacetamide
PubChem CID13124144
Molecular FormulaC10H22NO4P
Molecular Weight251.26 g/mol
Exact Mass251.13
IUPAC Name2-diethoxyphosphoryl-N,N-diethylacetamide
SMILESCCOP(=O)(CC(=O)N(CC)CC)OCC
InChIInChI=1S/C10H22NO4P/c1-5-11(6-2)10(12)9-16(13,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKeyWBLDKEWTTNXBRQ-UHFFFAOYSA-N
XLogP2.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490
ethyl 2-diethoxyphosphorylacetate
CID 10911236
disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
CID 173171688
butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
CID 88738432
[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate
CID 21278716
1-diethoxyphosphoryl-3-ethoxypropan-2-one
CID 23262182
2-dibutoxyphosphoryl-N,N-dioctylacetamide
CID 118060028
1-ethoxyethyl 2-diethoxyphosphorylacetate
CID 88781181
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139
2-diethoxyphosphorylacetyl azide
CID 59835448
2-diethoxyphosphoryl-1-pyrrol-1-ylethanone
CID 89488126

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N,N-diethylacetamide?
The IUPAC name of 2-diethoxyphosphoryl-N,N-diethylacetamide (CID 13124144) is 2-diethoxyphosphoryl-N,N-diethylacetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N,N-diethylacetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N,N-diethylacetamide is CCOP(=O)(CC(=O)N(CC)CC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N,N-diethylacetamide?
The InChIKey is WBLDKEWTTNXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO4P/c1-5-11(6-2)10(12)9-16(13,14-7-3)15-8-4/h5-9H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-N,N-diethylacetamide?
2-diethoxyphosphoryl-N,N-diethylacetamide has a molecular weight of 251.26 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N,N-diethylacetamide is sourced from PubChem (CID 13124144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).