N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide

C18H29NO2 — CID 2313610

IUPACN-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-11(19-12(2)20)13-9-14(17(3,4)5)16(21)15(10-13)18(6,7)8/h9-11,21H,1-8H3,(H,19,20)/t11-/m0/s1
InChIKeyLFJKGKRIMDUSPC-NSHDSACASA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds2

About N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide

N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide (PubChem CID 2313610) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide
PubChem CID2313610
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-11(19-12(2)20)13-9-14(17(3,4)5)16(21)15(10-13)18(6,7)8/h9-11,21H,1-8H3,(H,19,20)/t11-/m0/s1
InChIKeyLFJKGKRIMDUSPC-NSHDSACASA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide (CID 2313610) is N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide is CC(=O)N[C@@H](C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is LFJKGKRIMDUSPC-NSHDSACASA-N. The full InChI is InChI=1S/C18H29NO2/c1-11(19-12(2)20)13-9-14(17(3,4)5)16(21)15(10-13)18(6,7)8/h9-11,21H,1-8H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide?
N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 291.44 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2313610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).