3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid

C11H27NO5P2 — CID 155355291

IUPAC3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCOP(=O)(CCCOP(O)N(C(C)C)C(C)C)OC
InChIInChI=1S/C11H27NO5P2/c1-10(2)12(11(3)4)18(13)17-8-7-9-19(14,15-5)16-6/h10-11,13H,7-9H2,1-6H3
InChIKeyMSDKDBLWZIJNOS-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.22
Rot. Bonds10

About 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid

3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 155355291) has the molecular formula C11H27NO5P2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Name3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID155355291
Molecular FormulaC11H27NO5P2
Molecular Weight315.29 g/mol
Exact Mass315.14
IUPAC Name3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCOP(=O)(CCCOP(O)N(C(C)C)C(C)C)OC
InChIInChI=1S/C11H27NO5P2/c1-10(2)12(11(3)4)18(13)17-8-7-9-19(14,15-5)16-6/h10-11,13H,7-9H2,1-6H3
InChIKeyMSDKDBLWZIJNOS-UHFFFAOYSA-N
XLogP3.22
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[[(2S)-6-dimethoxyphosphorylhexan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 155378631
2-(2,2-dimethylpropanoylsulfanyl)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 15870030
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 88915022
5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
CID 58849456
1-dimethoxyphosphoryl-4-methylpentan-3-one
CID 72546240
3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
CID 170264565
(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 93482131
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid
CID 91605110
4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
CID 91475928
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 155355291) is 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid is COP(=O)(CCCOP(O)N(C(C)C)C(C)C)OC.
What is the InChIKey of 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is MSDKDBLWZIJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO5P2/c1-10(2)12(11(3)4)18(13)17-8-7-9-19(14,15-5)16-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid?
3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 315.29 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 155355291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).