methyl 2-(diphenylphosphorylamino)-4-methylpentanoate

C19H24NO3P — CID 625386

IUPACmethyl 2-(diphenylphosphorylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO3P/c1-15(2)14-18(19(21)23-3)20-24(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H,20,22)
InChIKeyIFWCVTBWUNRQLI-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.09
Rot. Bonds7

About methyl 2-(diphenylphosphorylamino)-4-methylpentanoate

methyl 2-(diphenylphosphorylamino)-4-methylpentanoate (PubChem CID 625386) has the molecular formula C19H24NO3P and a molecular weight of 345.38 g/mol. Its IUPAC name is methyl 2-(diphenylphosphorylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(diphenylphosphorylamino)-4-methylpentanoate
PubChem CID625386
Molecular FormulaC19H24NO3P
Molecular Weight345.38 g/mol
Exact Mass345.15
IUPAC Namemethyl 2-(diphenylphosphorylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO3P/c1-15(2)14-18(19(21)23-3)20-24(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H,20,22)
InChIKeyIFWCVTBWUNRQLI-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(diphenylphosphorylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(diphenylphosphorylamino)-4-methylpentanoate (CID 625386) is methyl 2-(diphenylphosphorylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(diphenylphosphorylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(diphenylphosphorylamino)-4-methylpentanoate is COC(=O)C(CC(C)C)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(diphenylphosphorylamino)-4-methylpentanoate?
The InChIKey is IFWCVTBWUNRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO3P/c1-15(2)14-18(19(21)23-3)20-24(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-(diphenylphosphorylamino)-4-methylpentanoate?
methyl 2-(diphenylphosphorylamino)-4-methylpentanoate has a molecular weight of 345.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diphenylphosphorylamino)-4-methylpentanoate is sourced from PubChem (CID 625386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).