2-diethoxyphosphoryl-N-hex-5-enylacetamide

C12H24NO4P — CID 102260976

IUPAC2-diethoxyphosphoryl-N-hex-5-enylacetamide
SMILESC=CCCCCNC(=O)CP(=O)(OCC)OCC
InChIInChI=1S/C12H24NO4P/c1-4-7-8-9-10-13-12(14)11-18(15,16-5-2)17-6-3/h4H,1,5-11H2,2-3H3,(H,13,14)
InChIKeyYVTHBBXFQMDAMJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.72
Rot. Bonds11

About 2-diethoxyphosphoryl-N-hex-5-enylacetamide

2-diethoxyphosphoryl-N-hex-5-enylacetamide (PubChem CID 102260976) has the molecular formula C12H24NO4P and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-hex-5-enylacetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-hex-5-enylacetamide
PubChem CID102260976
Molecular FormulaC12H24NO4P
Molecular Weight277.30 g/mol
Exact Mass277.14
IUPAC Name2-diethoxyphosphoryl-N-hex-5-enylacetamide
SMILESC=CCCCCNC(=O)CP(=O)(OCC)OCC
InChIInChI=1S/C12H24NO4P/c1-4-7-8-9-10-13-12(14)11-18(15,16-5-2)17-6-3/h4H,1,5-11H2,2-3H3,(H,13,14)
InChIKeyYVTHBBXFQMDAMJ-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2,2-bis[3-[(2-diethoxyphosphorylacetyl)amino]propoxymethyl]butoxy]propyl]-2-diethoxyphosphorylacetamide
CID 101424883
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
6-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]hex-1-ene
CID 129362430
2-(undec-10-enoylamino)ethyl dihydrogen phosphate
CID 10380486
1-hex-5-enyl-3-methylurea
CID 171623663
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
diethyl 4-(prop-2-enoylamino)butyl phosphate
CID 151131859
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-hex-5-enylacetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-hex-5-enylacetamide (CID 102260976) is 2-diethoxyphosphoryl-N-hex-5-enylacetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-hex-5-enylacetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-hex-5-enylacetamide is C=CCCCCNC(=O)CP(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-hex-5-enylacetamide?
The InChIKey is YVTHBBXFQMDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO4P/c1-4-7-8-9-10-13-12(14)11-18(15,16-5-2)17-6-3/h4H,1,5-11H2,2-3H3,(H,13,14).
What are the key properties of 2-diethoxyphosphoryl-N-hex-5-enylacetamide?
2-diethoxyphosphoryl-N-hex-5-enylacetamide has a molecular weight of 277.30 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-hex-5-enylacetamide is sourced from PubChem (CID 102260976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).