N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide

C17H32NO5PSi2 — CID 172879301

IUPACN-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C(N(C)C(C)=O)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C17H32NO5PSi2/c1-14(19)18(2)17(15-10-12-16(21-3)13-11-15)24(20,22-25(4,5)6)23-26(7,8)9/h10-13,17H,1-9H3
InChIKeyBMYDNQMHHGEADG-UHFFFAOYSA-N
MW417.59 g/mol
LogP5.07
Rot. Bonds8

About N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide

N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 172879301) has the molecular formula C17H32NO5PSi2 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID172879301
Molecular FormulaC17H32NO5PSi2
Molecular Weight417.59 g/mol
Exact Mass417.16
IUPAC NameN-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C(N(C)C(C)=O)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C17H32NO5PSi2/c1-14(19)18(2)17(15-10-12-16(21-3)13-11-15)24(20,22-25(4,5)6)23-26(7,8)9/h10-13,17H,1-9H3
InChIKeyBMYDNQMHHGEADG-UHFFFAOYSA-N
XLogP5.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[bis(trimethylsilyloxy)phosphoryl-[methyl(trimethylsilyl)amino]methyl]phenoxy]-[[(Z)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 91401996
1-N,3-N-bis[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 45258828
CID 88961149
CID 88961149
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate
CID 91135841
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
ethyl N-(2,2-dimethoxyethyl)-N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]carbamate
CID 13154119
1-diethoxyphosphoryl-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
CID 14340418
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide (CID 172879301) is N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(C(N(C)C(C)=O)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.
What is the InChIKey of N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is BMYDNQMHHGEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NO5PSi2/c1-14(19)18(2)17(15-10-12-16(21-3)13-11-15)24(20,22-25(4,5)6)23-26(7,8)9/h10-13,17H,1-9H3.
What are the key properties of N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide?
N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 417.59 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(trimethylsilyloxy)phosphoryl-(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 172879301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).