propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate

C16H26NO4P — CID 123387305

IUPACpropan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate
SMILESCCC(NP(=O)(Oc1ccccc1)C(C)C)C(=O)OC(C)C
InChIInChI=1S/C16H26NO4P/c1-6-15(16(18)20-12(2)3)17-22(19,13(4)5)21-14-10-8-7-9-11-14/h7-13,15H,6H2,1-5H3,(H,17,19)
InChIKeyOTWZASFKPFFVDL-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.99
Rot. Bonds8

About propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate

propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate (PubChem CID 123387305) has the molecular formula C16H26NO4P and a molecular weight of 327.36 g/mol. Its IUPAC name is propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate
PubChem CID123387305
Molecular FormulaC16H26NO4P
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Namepropan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate
SMILESCCC(NP(=O)(Oc1ccccc1)C(C)C)C(=O)OC(C)C
InChIInChI=1S/C16H26NO4P/c1-6-15(16(18)20-12(2)3)17-22(19,13(4)5)21-14-10-8-7-9-11-14/h7-13,15H,6H2,1-5H3,(H,17,19)
InChIKeyOTWZASFKPFFVDL-UHFFFAOYSA-N
XLogP3.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
ethane;propan-2-yl (2S)-2-[[methylamino(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 169219377
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
ethyl 2-methyl-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 121310000
propan-2-yl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-2-phosphanylacetate
CID 146559026
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
CID 118967597
propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate
CID 142963706

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate?
The IUPAC name of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate (CID 123387305) is propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate.
What is the SMILES notation for propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate?
The canonical SMILES for propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate is CCC(NP(=O)(Oc1ccccc1)C(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate?
The InChIKey is OTWZASFKPFFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO4P/c1-6-15(16(18)20-12(2)3)17-22(19,13(4)5)21-14-10-8-7-9-11-14/h7-13,15H,6H2,1-5H3,(H,17,19).
What are the key properties of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate?
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate has a molecular weight of 327.36 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate is sourced from PubChem (CID 123387305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).