methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate

C15H24NO2P — CID 101188334

IUPACmethyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate
SMILESCOC(=O)CP(=Nc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C15H24NO2P/c1-12(2)19(13(3)4,11-15(17)18-5)16-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKeySKDZLHFSHUSQEY-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.51
Rot. Bonds5

About methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate

methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate (PubChem CID 101188334) has the molecular formula C15H24NO2P and a molecular weight of 281.34 g/mol. Its IUPAC name is methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate
PubChem CID101188334
Molecular FormulaC15H24NO2P
Molecular Weight281.34 g/mol
Exact Mass281.15
IUPAC Namemethyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate
SMILESCOC(=O)CP(=Nc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C15H24NO2P/c1-12(2)19(13(3)4,11-15(17)18-5)16-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKeySKDZLHFSHUSQEY-UHFFFAOYSA-N
XLogP4.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
methyl 3-anilino-4-methylpentanoate
CID 86003942
methyl 3-(benzylamino)-4-methylpentanoate
CID 11333802
methyl (3R)-3-anilinobutanoate
CID 11333008
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
methyl 3-phenylsulfanylbutanoate
CID 10750953
CID 172801156
CID 172801156
diphenyl-phenylimino-propan-2-yl-lambda5-phosphane
CID 13452466
methyl 11-(4-phenyldiazenylphenoxy)undecanoate
CID 151541407
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013

Frequently Asked Questions

What is the IUPAC name of methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate?
The IUPAC name of methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate (CID 101188334) is methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate.
What is the SMILES notation for methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate?
The canonical SMILES for methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate is COC(=O)CP(=Nc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate?
The InChIKey is SKDZLHFSHUSQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO2P/c1-12(2)19(13(3)4,11-15(17)18-5)16-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3.
What are the key properties of methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate?
methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate has a molecular weight of 281.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[phenylimino-di(propan-2-yl)-λ5-phosphanyl]acetate is sourced from PubChem (CID 101188334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).