N-(1-diethoxyphosphorylethyl)-2-methylpropanamide

C10H22NO4P — CID 118391289

IUPACN-(1-diethoxyphosphorylethyl)-2-methylpropanamide
SMILESCCOP(=O)(OCC)C(C)NC(=O)C(C)C
InChIInChI=1S/C10H22NO4P/c1-6-14-16(13,15-7-2)9(5)11-10(12)8(3)4/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyGNZWBEZXXAVJFP-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.37
Rot. Bonds7

About N-(1-diethoxyphosphorylethyl)-2-methylpropanamide

N-(1-diethoxyphosphorylethyl)-2-methylpropanamide (PubChem CID 118391289) has the molecular formula C10H22NO4P and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(1-diethoxyphosphorylethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-diethoxyphosphorylethyl)-2-methylpropanamide
PubChem CID118391289
Molecular FormulaC10H22NO4P
Molecular Weight251.26 g/mol
Exact Mass251.13
IUPAC NameN-(1-diethoxyphosphorylethyl)-2-methylpropanamide
SMILESCCOP(=O)(OCC)C(C)NC(=O)C(C)C
InChIInChI=1S/C10H22NO4P/c1-6-14-16(13,15-7-2)9(5)11-10(12)8(3)4/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyGNZWBEZXXAVJFP-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-diethoxyphosphorylethyl)-2-methylpropanamide?
The IUPAC name of N-(1-diethoxyphosphorylethyl)-2-methylpropanamide (CID 118391289) is N-(1-diethoxyphosphorylethyl)-2-methylpropanamide.
What is the SMILES notation for N-(1-diethoxyphosphorylethyl)-2-methylpropanamide?
The canonical SMILES for N-(1-diethoxyphosphorylethyl)-2-methylpropanamide is CCOP(=O)(OCC)C(C)NC(=O)C(C)C.
What is the InChIKey of N-(1-diethoxyphosphorylethyl)-2-methylpropanamide?
The InChIKey is GNZWBEZXXAVJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO4P/c1-6-14-16(13,15-7-2)9(5)11-10(12)8(3)4/h8-9H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-(1-diethoxyphosphorylethyl)-2-methylpropanamide?
N-(1-diethoxyphosphorylethyl)-2-methylpropanamide has a molecular weight of 251.26 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diethoxyphosphorylethyl)-2-methylpropanamide is sourced from PubChem (CID 118391289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).