3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane

C21H37NO2 — CID 142558013

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
SMILESCCC.CNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2.C3H8/c1-17(2,3)13-10-12(8-9-15(20)19-7)11-14(16(13)21)18(4,5)6;1-3-2/h10-11,21H,8-9H2,1-7H3,(H,19,20);3H2,1-2H3
InChIKeyFSUNTELSCYDSID-UHFFFAOYSA-N
MW335.53 g/mol
LogP5.08
Rot. Bonds3

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane (PubChem CID 142558013) 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)-N-methylpropanamide;propane.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
PubChem CID142558013
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
SMILESCCC.CNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2.C3H8/c1-17(2,3)13-10-12(8-9-15(20)19-7)11-14(16(13)21)18(4,5)6;1-3-2/h10-11,21H,8-9H2,1-7H3,(H,19,20);3H2,1-2H3
InChIKeyFSUNTELSCYDSID-UHFFFAOYSA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175098384
2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide
CID 145389700
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 20728649
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuterio-6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide
CID 169433654
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazonate
CID 102150399
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-methylpropanamide
CID 20670561
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane (CID 142558013) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane is CCC.CNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane?
The InChIKey is FSUNTELSCYDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.C3H8/c1-17(2,3)13-10-12(8-9-15(20)19-7)11-14(16(13)21)18(4,5)6;1-3-2/h10-11,21H,8-9H2,1-7H3,(H,19,20);3H2,1-2H3.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane has a molecular weight of 335.53 g/mol, XLogP of 5.08, 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)-N-methylpropanamide;propane is sourced from PubChem (CID 142558013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).