3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane

C21H37NO2 — CID 143771604

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
SMILESCC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1O.CC(C)C
InChIInChI=1S/C17H27NO2.C4H10/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-4(2)3/h9-10,20H,7-8H2,1-6H3,(H2,18,19);4H,1-3H3
InChIKeyGQWIUBQNIMHWCD-UHFFFAOYSA-N
MW335.53 g/mol
LogP5.07
Rot. Bonds3

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane (PubChem CID 143771604) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
PubChem CID143771604
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
SMILESCC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1O.CC(C)C
InChIInChI=1S/C17H27NO2.C4H10/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-4(2)3/h9-10,20H,7-8H2,1-6H3,(H2,18,19);4H,1-3H3
InChIKeyGQWIUBQNIMHWCD-UHFFFAOYSA-N
XLogP5.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
3-(3,5-ditert-butylphenyl)propanamide
CID 58456414
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;ethene;methane
CID 159967546
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-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175098384
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
[4-(3-amino-3-oxopropyl)-2,6-ditert-butylphenyl] dihydrogen phosphite
CID 175356986
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane (CID 143771604) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane is CC(C)(C)c1cc(CCC(N)=O)cc(C(C)(C)C)c1O.CC(C)C.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane?
The InChIKey is GQWIUBQNIMHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C4H10/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-4(2)3/h9-10,20H,7-8H2,1-6H3,(H2,18,19);4H,1-3H3.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane?
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane has a molecular weight of 335.53 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane is sourced from PubChem (CID 143771604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).