3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide

C12H28N2O7P2 — CID 58482691

IUPAC3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide
SMILESCCOP(=O)(OCC)C(NC(=O)CCN)P(=O)(OCC)OCC
InChIInChI=1S/C12H28N2O7P2/c1-5-18-22(16,19-6-2)12(14-11(15)9-10-13)23(17,20-7-3)21-8-4/h12H,5-10,13H2,1-4H3,(H,14,15)
InChIKeyBQZSKLMTJAJSFV-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.27
Rot. Bonds13

About 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide

3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide (PubChem CID 58482691) has the molecular formula C12H28N2O7P2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide
PubChem CID58482691
Molecular FormulaC12H28N2O7P2
Molecular Weight374.31 g/mol
Exact Mass374.14
IUPAC Name3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide
SMILESCCOP(=O)(OCC)C(NC(=O)CCN)P(=O)(OCC)OCC
InChIInChI=1S/C12H28N2O7P2/c1-5-18-22(16,19-6-2)12(14-11(15)9-10-13)23(17,20-7-3)21-8-4/h12H,5-10,13H2,1-4H3,(H,14,15)
InChIKeyBQZSKLMTJAJSFV-UHFFFAOYSA-N
XLogP2.27
TPSA126.18 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 ≤ 52.27
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

N-[bis(diethoxyphosphoryl)methyl]-2-bromoacetamide
CID 14997216
N-[bis(diethoxyphosphoryl)methyl]-4-[bis(2-hydroxyethyl)amino]butanamide
CID 140939705
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
3-amino-N-butan-2-ylpropanamide
CID 16784988
benzyl 4-[4-[bis(diethoxyphosphoryl)methylamino]-4-oxobutanoyl]oxypiperidine-1-carboxylate
CID 91524871
methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464
3-amino-N-(2-methylpentan-3-yl)propanamide
CID 61472687
N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2305152
2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide
CID 3706714
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
N-(1-diethoxyphosphorylethyl)-2-methylpropanamide
CID 118391289

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide?
The IUPAC name of 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide (CID 58482691) is 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide is CCOP(=O)(OCC)C(NC(=O)CCN)P(=O)(OCC)OCC.
What is the InChIKey of 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide?
The InChIKey is BQZSKLMTJAJSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O7P2/c1-5-18-22(16,19-6-2)12(14-11(15)9-10-13)23(17,20-7-3)21-8-4/h12H,5-10,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide?
3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide has a molecular weight of 374.31 g/mol, XLogP of 2.27, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide is sourced from PubChem (CID 58482691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).