N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C14H27Br2N2O6P — CID 56989822

IUPACN-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCCOP(=O)(C(Br)N(C=O)OC(C)(C)C)C(Br)N(C=O)OC(C)(C)C
InChIInChI=1S/C14H27Br2N2O6P/c1-8-22-25(21,11(15)17(9-19)23-13(2,3)4)12(16)18(10-20)24-14(5,6)7/h9-12H,8H2,1-7H3
InChIKeyJNTRNWQXCDUFPM-UHFFFAOYSA-N
MW510.16 g/mol
LogP4.03
Rot. Bonds10

About N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 56989822) has the molecular formula C14H27Br2N2O6P and a molecular weight of 510.16 g/mol. Its IUPAC name is N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID56989822
Molecular FormulaC14H27Br2N2O6P
Molecular Weight510.16 g/mol
Exact Mass508.00
IUPAC NameN-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCCOP(=O)(C(Br)N(C=O)OC(C)(C)C)C(Br)N(C=O)OC(C)(C)C
InChIInChI=1S/C14H27Br2N2O6P/c1-8-22-25(21,11(15)17(9-19)23-13(2,3)4)12(16)18(10-20)24-14(5,6)7/h9-12H,8H2,1-7H3
InChIKeyJNTRNWQXCDUFPM-UHFFFAOYSA-N
XLogP4.03
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.16
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 56989822) is N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CCOP(=O)(C(Br)N(C=O)OC(C)(C)C)C(Br)N(C=O)OC(C)(C)C.
What is the InChIKey of N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is JNTRNWQXCDUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Br2N2O6P/c1-8-22-25(21,11(15)17(9-19)23-13(2,3)4)12(16)18(10-20)24-14(5,6)7/h9-12H,8H2,1-7H3.
What are the key properties of N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 510.16 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 56989822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).