[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite

C17H28NO4P — CID 175356986

IUPAC[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite
SMILESCC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1OP(O)O
InChIInChI=1S/C17H28NO4P/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(17(4,5)6)15(12)22-23(20)21/h9-10,20-21H,7-8H2,1-6H3,(H2,18,19)
InChIKeyZEMQFHADGGSZOK-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.29
Rot. Bonds5

About [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite

[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite (PubChem CID 175356986) has the molecular formula C17H28NO4P and a molecular weight of 341.39 g/mol. Its IUPAC name is [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite
PubChem CID175356986
Molecular FormulaC17H28NO4P
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC Name[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite
SMILESCC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1OP(O)O
InChIInChI=1S/C17H28NO4P/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(17(4,5)6)15(12)22-23(20)21/h9-10,20-21H,7-8H2,1-6H3,(H2,18,19)
InChIKeyZEMQFHADGGSZOK-UHFFFAOYSA-N
XLogP3.29
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
CID 143771604
3-(3,5-ditert-butylphenyl)propanamide
CID 58456414
3-(3,5-ditert-butyl-4-methoxyphenyl)propanethioamide
CID 83938576
octadecyl 3-[3-tert-butyl-4-[[2-tert-butyl-6-methyl-4-(3-octadecoxy-3-oxopropyl)phenoxy]-hydroxyphosphanyl]oxy-5-methylphenyl]propanoate;phosphorous acid
CID 157207745
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
CID 22104700
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 161430473
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethene;formaldehyde
CID 158902854
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
2-hydroxyethyl 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)propanoate
CID 21199855

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite?
The IUPAC name of [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite (CID 175356986) is [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite.
What is the SMILES notation for [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite?
The canonical SMILES for [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite is CC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1OP(O)O.
What is the InChIKey of [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite?
The InChIKey is ZEMQFHADGGSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NO4P/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(17(4,5)6)15(12)22-23(20)21/h9-10,20-21H,7-8H2,1-6H3,(H2,18,19).
What are the key properties of [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite?
[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite has a molecular weight of 341.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite is sourced from PubChem (CID 175356986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).