N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine

C16H37NO4P2 — CID 142470787

IUPACN-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H37NO4P2/c1-13(2)17(14(3)4)22(19-11)12-23(18,20-15(5,6)7)21-16(8,9)10/h13-14H,12H2,1-11H3
InChIKeyVURAFDZXMQWOCK-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.84
Rot. Bonds8

About N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine

N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 142470787) has the molecular formula C16H37NO4P2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID142470787
Molecular FormulaC16H37NO4P2
Molecular Weight369.42 g/mol
Exact Mass369.22
IUPAC NameN-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H37NO4P2/c1-13(2)17(14(3)4)22(19-11)12-23(18,20-15(5,6)7)21-16(8,9)10/h13-14H,12H2,1-11H3
InChIKeyVURAFDZXMQWOCK-UHFFFAOYSA-N
XLogP5.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
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 N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 142470787) is N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine is COP(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VURAFDZXMQWOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO4P2/c1-13(2)17(14(3)4)22(19-11)12-23(18,20-15(5,6)7)21-16(8,9)10/h13-14H,12H2,1-11H3.
What are the key properties of N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 369.42 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-methoxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 142470787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).