(E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium

C18H30NO4P — CID 162515816

IUPAC(E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium
SMILESCC(C)(N)/C=[P+](\[O-])Oc1cccc(OC(C)(C)C)c1OC(C)(C)C
InChIInChI=1S/C18H30NO4P/c1-16(2,3)21-13-10-9-11-14(15(13)22-17(4,5)6)23-24(20)12-18(7,8)19/h9-12H,19H2,1-8H3
InChIKeyHTNHUHQKWNTVSB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.63
Rot. Bonds5

About (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium

(E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium (PubChem CID 162515816) has the molecular formula C18H30NO4P and a molecular weight of 355.42 g/mol. Its IUPAC name is (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium.

Molecular Properties

Compound Name(E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium
PubChem CID162515816
Molecular FormulaC18H30NO4P
Molecular Weight355.42 g/mol
Exact Mass355.19
IUPAC Name(E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium
SMILESCC(C)(N)/C=[P+](\[O-])Oc1cccc(OC(C)(C)C)c1OC(C)(C)C
InChIInChI=1S/C18H30NO4P/c1-16(2,3)21-13-10-9-11-14(15(13)22-17(4,5)6)23-24(20)12-18(7,8)19/h9-12H,19H2,1-8H3
InChIKeyHTNHUHQKWNTVSB-UHFFFAOYSA-N
XLogP3.63
TPSA76.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.63
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 (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium?
The IUPAC name of (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium (CID 162515816) is (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium.
What is the SMILES notation for (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium?
The canonical SMILES for (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium is CC(C)(N)/C=[P+](\[O-])Oc1cccc(OC(C)(C)C)c1OC(C)(C)C.
What is the InChIKey of (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium?
The InChIKey is HTNHUHQKWNTVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO4P/c1-16(2,3)21-13-10-9-11-14(15(13)22-17(4,5)6)23-24(20)12-18(7,8)19/h9-12H,19H2,1-8H3.
What are the key properties of (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium?
(E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium has a molecular weight of 355.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(2-amino-2-methylpropylidene)-[2,3-bis[(2-methylpropan-2-yl)oxy]phenoxy]-oxidophosphanium is sourced from PubChem (CID 162515816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).