N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine

C26H43N2O5PSi — CID 87972126

IUPACN-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine
SMILESCCOP(=O)(CC(Nc1ccc(C)nc1)c1cc(OC)c(C)c(O[Si](C)(C)C(C)(C)C)c1)OCC
InChIInChI=1S/C26H43N2O5PSi/c1-11-31-34(29,32-12-2)18-23(28-22-14-13-19(3)27-17-22)21-15-24(30-8)20(4)25(16-21)33-35(9,10)26(5,6)7/h13-17,23,28H,11-12,18H2,1-10H3
InChIKeyRXRWLPLOVHRGIK-UHFFFAOYSA-N
MW522.70 g/mol
LogP7.51
Rot. Bonds12

About N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine

N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine (PubChem CID 87972126) has the molecular formula C26H43N2O5PSi and a molecular weight of 522.70 g/mol. Its IUPAC name is N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine
PubChem CID87972126
Molecular FormulaC26H43N2O5PSi
Molecular Weight522.70 g/mol
Exact Mass522.27
IUPAC NameN-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine
SMILESCCOP(=O)(CC(Nc1ccc(C)nc1)c1cc(OC)c(C)c(O[Si](C)(C)C(C)(C)C)c1)OCC
InChIInChI=1S/C26H43N2O5PSi/c1-11-31-34(29,32-12-2)18-23(28-22-14-13-19(3)27-17-22)21-15-24(30-8)20(4)25(16-21)33-35(9,10)26(5,6)7/h13-17,23,28H,11-12,18H2,1-10H3
InChIKeyRXRWLPLOVHRGIK-UHFFFAOYSA-N
XLogP7.51
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-diethoxyphosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethoxyphenyl]methanol
CID 10180695
N-[2-di(propan-2-yloxy)phosphoryl-1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-3-amine
CID 10114973
tert-butyl-[4-[1-diethoxyphosphoryl-2-(2-methyl-3-pyridinyl)ethyl]-2-methoxy-6-methylphenoxy]-dimethylsilane
CID 87872106
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2,6-dimethylphenyl]acetaldehyde
CID 10590949
[bromo-(3,4-dimethoxyphenyl)methyl]-ethoxyphosphinic acid
CID 88731355
tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
CID 91342581
N-(2-ethylbutyl)-6-methylpyridin-3-amine
CID 75355434
4-[2-di(propan-2-yloxy)phosphoryl-1-(pyridin-3-ylamino)ethyl]-2,6-dimethylphenol
CID 10158246
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
4-[diethoxyphosphoryl-(pyridin-3-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 15463407
N-(3,3-dimethylbutan-2-yl)-6-methylpyridin-3-amine
CID 115921577

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine?
The IUPAC name of N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine (CID 87972126) is N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine is CCOP(=O)(CC(Nc1ccc(C)nc1)c1cc(OC)c(C)c(O[Si](C)(C)C(C)(C)C)c1)OCC.
What is the InChIKey of N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine?
The InChIKey is RXRWLPLOVHRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N2O5PSi/c1-11-31-34(29,32-12-2)18-23(28-22-14-13-19(3)27-17-22)21-15-24(30-8)20(4)25(16-21)33-35(9,10)26(5,6)7/h13-17,23,28H,11-12,18H2,1-10H3.
What are the key properties of N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine?
N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine has a molecular weight of 522.70 g/mol, XLogP of 7.51, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-methylphenyl]-2-diethoxyphosphorylethyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 87972126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).