N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide

C16H31N2O5P — CID 142757090

IUPACN-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide
SMILESCCN(CC)/C(CP(=O)(OC(C)C)OC(C)(C)C(C)=O)=N\C(C)=O
InChIInChI=1S/C16H31N2O5P/c1-9-18(10-2)15(17-14(6)20)11-24(21,22-12(3)4)23-16(7,8)13(5)19/h12H,9-11H2,1-8H3/b17-15-
InChIKeyKTRNYKXZZKQVFE-ICFOKQHNSA-N
MW362.41 g/mol
LogP3.28
Rot. Bonds9

About N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide

N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide (PubChem CID 142757090) has the molecular formula C16H31N2O5P and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide
PubChem CID142757090
Molecular FormulaC16H31N2O5P
Molecular Weight362.41 g/mol
Exact Mass362.20
IUPAC NameN-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide
SMILESCCN(CC)/C(CP(=O)(OC(C)C)OC(C)(C)C(C)=O)=N\C(C)=O
InChIInChI=1S/C16H31N2O5P/c1-9-18(10-2)15(17-14(6)20)11-24(21,22-12(3)4)23-16(7,8)13(5)19/h12H,9-11H2,1-8H3/b17-15-
InChIKeyKTRNYKXZZKQVFE-ICFOKQHNSA-N
XLogP3.28
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide?
The IUPAC name of N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide (CID 142757090) is N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide.
What is the SMILES notation for N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide?
The canonical SMILES for N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide is CCN(CC)/C(CP(=O)(OC(C)C)OC(C)(C)C(C)=O)=N\C(C)=O.
What is the InChIKey of N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide?
The InChIKey is KTRNYKXZZKQVFE-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H31N2O5P/c1-9-18(10-2)15(17-14(6)20)11-24(21,22-12(3)4)23-16(7,8)13(5)19/h12H,9-11H2,1-8H3/b17-15-.
What are the key properties of N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide?
N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide has a molecular weight of 362.41 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-2-[(2-methyl-3-oxobutan-2-yl)oxy-propan-2-yloxyphosphoryl]ethylidene]acetamide is sourced from PubChem (CID 142757090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).