pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate

C17H26NO4P — CID 146264889

IUPACpentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate
SMILESCCCC(C)OC(=O)CNP(OC)Oc1cccc(C2CC2)c1
InChIInChI=1S/C17H26NO4P/c1-4-6-13(2)21-17(19)12-18-23(20-3)22-16-8-5-7-15(11-16)14-9-10-14/h5,7-8,11,13-14,18H,4,6,9-10,12H2,1-3H3
InChIKeyASBYVWHFUSHFME-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.14
Rot. Bonds10

About pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate

pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate (PubChem CID 146264889) has the molecular formula C17H26NO4P and a molecular weight of 339.37 g/mol. Its IUPAC name is pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate.

Molecular Properties

Compound Namepentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate
PubChem CID146264889
Molecular FormulaC17H26NO4P
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Namepentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate
SMILESCCCC(C)OC(=O)CNP(OC)Oc1cccc(C2CC2)c1
InChIInChI=1S/C17H26NO4P/c1-4-6-13(2)21-17(19)12-18-23(20-3)22-16-8-5-7-15(11-16)14-9-10-14/h5,7-8,11,13-14,18H,4,6,9-10,12H2,1-3H3
InChIKeyASBYVWHFUSHFME-UHFFFAOYSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate?
The IUPAC name of pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate (CID 146264889) is pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate.
What is the SMILES notation for pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate?
The canonical SMILES for pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate is CCCC(C)OC(=O)CNP(OC)Oc1cccc(C2CC2)c1.
What is the InChIKey of pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate?
The InChIKey is ASBYVWHFUSHFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NO4P/c1-4-6-13(2)21-17(19)12-18-23(20-3)22-16-8-5-7-15(11-16)14-9-10-14/h5,7-8,11,13-14,18H,4,6,9-10,12H2,1-3H3.
What are the key properties of pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate?
pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate has a molecular weight of 339.37 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 2-[[(3-cyclopropylphenoxy)-methoxyphosphanyl]amino]acetate is sourced from PubChem (CID 146264889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).