N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide

C20H42NO4P — CID 91356626

IUPACN,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide
SMILESCCCCCCCCOP(=O)(CCCCCCCC)OCC(=O)N(C)C
InChIInChI=1S/C20H42NO4P/c1-5-7-9-11-13-15-17-24-26(23,25-19-20(22)21(3)4)18-16-14-12-10-8-6-2/h5-19H2,1-4H3
InChIKeyJPCURLFCTMJJFW-UHFFFAOYSA-N
MW391.53 g/mol
LogP6.02
Rot. Bonds18

About N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide

N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide (PubChem CID 91356626) has the molecular formula C20H42NO4P and a molecular weight of 391.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide
PubChem CID91356626
Molecular FormulaC20H42NO4P
Molecular Weight391.53 g/mol
Exact Mass391.29
IUPAC NameN,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide
SMILESCCCCCCCCOP(=O)(CCCCCCCC)OCC(=O)N(C)C
InChIInChI=1S/C20H42NO4P/c1-5-7-9-11-13-15-17-24-26(23,25-19-20(22)21(3)4)18-16-14-12-10-8-6-2/h5-19H2,1-4H3
InChIKeyJPCURLFCTMJJFW-UHFFFAOYSA-N
XLogP6.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
[octadecyl(pentadecoxy)phosphoryl] hypofluorite
CID 154926633
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
1-diethoxyphosphorylundecane
CID 57360026

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide?
The IUPAC name of N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide (CID 91356626) is N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide?
The canonical SMILES for N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide is CCCCCCCCOP(=O)(CCCCCCCC)OCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide?
The InChIKey is JPCURLFCTMJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO4P/c1-5-7-9-11-13-15-17-24-26(23,25-19-20(22)21(3)4)18-16-14-12-10-8-6-2/h5-19H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide?
N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide has a molecular weight of 391.53 g/mol, XLogP of 6.02, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[octoxy(octyl)phosphoryl]oxyacetamide is sourced from PubChem (CID 91356626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).