2-amino-4,4-bis(diethoxyphosphoryl)butanamide

C12H28N2O7P2 — CID 134929357

IUPAC2-amino-4,4-bis(diethoxyphosphoryl)butanamide
SMILESCCOP(=O)(OCC)C(CC(N)C(N)=O)P(=O)(OCC)OCC
InChIInChI=1S/C12H28N2O7P2/c1-5-18-22(16,19-6-2)11(9-10(13)12(14)15)23(17,20-7-3)21-8-4/h10-11H,5-9,13H2,1-4H3,(H2,14,15)
InChIKeyGRMPJVAYBVUETJ-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.05
Rot. Bonds13

About 2-amino-4,4-bis(diethoxyphosphoryl)butanamide

2-amino-4,4-bis(diethoxyphosphoryl)butanamide (PubChem CID 134929357) has the molecular formula C12H28N2O7P2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-amino-4,4-bis(diethoxyphosphoryl)butanamide.

Molecular Properties

Compound Name2-amino-4,4-bis(diethoxyphosphoryl)butanamide
PubChem CID134929357
Molecular FormulaC12H28N2O7P2
Molecular Weight374.31 g/mol
Exact Mass374.14
IUPAC Name2-amino-4,4-bis(diethoxyphosphoryl)butanamide
SMILESCCOP(=O)(OCC)C(CC(N)C(N)=O)P(=O)(OCC)OCC
InChIInChI=1S/C12H28N2O7P2/c1-5-18-22(16,19-6-2)11(9-10(13)12(14)15)23(17,20-7-3)21-8-4/h10-11H,5-9,13H2,1-4H3,(H2,14,15)
InChIKeyGRMPJVAYBVUETJ-UHFFFAOYSA-N
XLogP2.05
TPSA140.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
1-diethoxyphosphorylethanamine
CID 5149858
2-methylpropanamide;triethyl phosphate
CID 155316510
1-diethoxyphosphoryl-3-methylbutan-1-amine;oxalic acid
CID 12635018
tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
CID 135014585
2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide
CID 3706714
4,4-bis(diethoxyphosphoryl)-2-propan-2-ylbutanal
CID 135001316
ethyl 3-diethoxyphosphoryl-2-hydroxybutanoate
CID 23420452
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-bis(diethoxyphosphoryl)butanamide?
The IUPAC name of 2-amino-4,4-bis(diethoxyphosphoryl)butanamide (CID 134929357) is 2-amino-4,4-bis(diethoxyphosphoryl)butanamide.
What is the SMILES notation for 2-amino-4,4-bis(diethoxyphosphoryl)butanamide?
The canonical SMILES for 2-amino-4,4-bis(diethoxyphosphoryl)butanamide is CCOP(=O)(OCC)C(CC(N)C(N)=O)P(=O)(OCC)OCC.
What is the InChIKey of 2-amino-4,4-bis(diethoxyphosphoryl)butanamide?
The InChIKey is GRMPJVAYBVUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O7P2/c1-5-18-22(16,19-6-2)11(9-10(13)12(14)15)23(17,20-7-3)21-8-4/h10-11H,5-9,13H2,1-4H3,(H2,14,15).
What are the key properties of 2-amino-4,4-bis(diethoxyphosphoryl)butanamide?
2-amino-4,4-bis(diethoxyphosphoryl)butanamide has a molecular weight of 374.31 g/mol, XLogP of 2.05, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-bis(diethoxyphosphoryl)butanamide is sourced from PubChem (CID 134929357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).