2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide

C22H37NO2 — CID 15537309

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H37NO2/c1-11-23(12-2)19(25)22(9,10)15-13-16(20(3,4)5)18(24)17(14-15)21(6,7)8/h13-14,24H,11-12H2,1-10H3
InChIKeyUOVYJNHKWDQDKP-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.13
Rot. Bonds4

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide

2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide (PubChem CID 15537309) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide
PubChem CID15537309
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H37NO2/c1-11-23(12-2)19(25)22(9,10)15-13-16(20(3,4)5)18(24)17(14-15)21(6,7)8/h13-14,24H,11-12H2,1-10H3
InChIKeyUOVYJNHKWDQDKP-UHFFFAOYSA-N
XLogP5.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide (CID 15537309) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide is CCN(CC)C(=O)C(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide?
The InChIKey is UOVYJNHKWDQDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-11-23(12-2)19(25)22(9,10)15-13-16(20(3,4)5)18(24)17(14-15)21(6,7)8/h13-14,24H,11-12H2,1-10H3.
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide?
2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide has a molecular weight of 347.54 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N,N-diethyl-2-methylpropanamide is sourced from PubChem (CID 15537309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).