azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate

C16H38N2O9P2 — CID 173456268

IUPACazane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
SMILESCCCCOP(=O)(O)C(N)=O.CCCCOP(=O)(OCCCC)C(=O)OCC.N
InChIInChI=1S/C11H23O5P.C5H12NO4P.H3N/c1-4-7-9-15-17(13,11(12)14-6-3)16-10-8-5-2;1-2-3-4-10-11(8,9)5(6)7;/h4-10H2,1-3H3;2-4H2,1H3,(H2,6,7)(H,8,9);1H3
InChIKeySKEZSUQXIGKYLZ-UHFFFAOYSA-N
MW464.43 g/mol
LogP5.20
Rot. Bonds15

About azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate

azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate (PubChem CID 173456268) has the molecular formula C16H38N2O9P2 and a molecular weight of 464.43 g/mol. Its IUPAC name is azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate.

Molecular Properties

Compound Nameazane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
PubChem CID173456268
Molecular FormulaC16H38N2O9P2
Molecular Weight464.43 g/mol
Exact Mass464.21
IUPAC Nameazane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
SMILESCCCCOP(=O)(O)C(N)=O.CCCCOP(=O)(OCCCC)C(=O)OCC.N
InChIInChI=1S/C11H23O5P.C5H12NO4P.H3N/c1-4-7-9-15-17(13,11(12)14-6-3)16-10-8-5-2;1-2-3-4-10-11(8,9)5(6)7;/h4-10H2,1-3H3;2-4H2,1H3,(H2,6,7)(H,8,9);1H3
InChIKeySKEZSUQXIGKYLZ-UHFFFAOYSA-N
XLogP5.20
TPSA186.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.43
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

butyl [butoxy(ethoxy)phosphoryl]formate
CID 91568211
ethyl bis(3-octadecylsulfanylpropoxy)phosphorylformate
CID 166909333
azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid
CID 87677352
azane;butyl dihydrogen phosphate
CID 173333807
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
butoxyphosphonamidic acid;guanidine
CID 175407488
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
dibutyl hydrogen phosphate
CID 158586372
ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
CID 156690326
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631

Frequently Asked Questions

What is the IUPAC name of azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate?
The IUPAC name of azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate (CID 173456268) is azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate.
What is the SMILES notation for azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate?
The canonical SMILES for azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate is CCCCOP(=O)(O)C(N)=O.CCCCOP(=O)(OCCCC)C(=O)OCC.N.
What is the InChIKey of azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate?
The InChIKey is SKEZSUQXIGKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O5P.C5H12NO4P.H3N/c1-4-7-9-15-17(13,11(12)14-6-3)16-10-8-5-2;1-2-3-4-10-11(8,9)5(6)7;/h4-10H2,1-3H3;2-4H2,1H3,(H2,6,7)(H,8,9);1H3.
What are the key properties of azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate?
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate has a molecular weight of 464.43 g/mol, XLogP of 5.20, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate is sourced from PubChem (CID 173456268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).