2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide

C8H18N3O5P — CID 3706714

IUPAC2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide
SMILESCCOP(=O)(OCC)C(NC(=O)NC)C(N)=O
InChIInChI=1S/C8H18N3O5P/c1-4-15-17(14,16-5-2)7(6(9)12)11-8(13)10-3/h7H,4-5H2,1-3H3,(H2,9,12)(H2,10,11,13)
InChIKeySIKXCFPYQOTUQO-UHFFFAOYSA-N
MW267.22 g/mol
LogP-0.01
Rot. Bonds7

About 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide

2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide (PubChem CID 3706714) has the molecular formula C8H18N3O5P and a molecular weight of 267.22 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide
PubChem CID3706714
Molecular FormulaC8H18N3O5P
Molecular Weight267.22 g/mol
Exact Mass267.10
IUPAC Name2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide
SMILESCCOP(=O)(OCC)C(NC(=O)NC)C(N)=O
InChIInChI=1S/C8H18N3O5P/c1-4-15-17(14,16-5-2)7(6(9)12)11-8(13)10-3/h7H,4-5H2,1-3H3,(H2,9,12)(H2,10,11,13)
InChIKeySIKXCFPYQOTUQO-UHFFFAOYSA-N
XLogP-0.01
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464
ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
CID 4210354
methyl 2-diethoxyphosphoryl-2-(methanethioylamino)acetate
CID 88836644
2-amino-4,4-bis(diethoxyphosphoryl)butanamide
CID 134929357
2-methylpropanamide;triethyl phosphate
CID 155316510
3-amino-N-[bis(diethoxyphosphoryl)methyl]propanamide
CID 58482691
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
N-(1-diethoxyphosphorylethyl)-2-methylpropanamide
CID 118391289
N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide
CID 101350618
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
N-[bis(diethoxyphosphoryl)methyl]-2-bromoacetamide
CID 14997216
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
CID 102320660

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide (CID 3706714) is 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide is CCOP(=O)(OCC)C(NC(=O)NC)C(N)=O.
What is the InChIKey of 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide?
The InChIKey is SIKXCFPYQOTUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3O5P/c1-4-15-17(14,16-5-2)7(6(9)12)11-8(13)10-3/h7H,4-5H2,1-3H3,(H2,9,12)(H2,10,11,13).
What are the key properties of 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide?
2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide has a molecular weight of 267.22 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide is sourced from PubChem (CID 3706714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).