N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide

C32H49NO3 — CID 4301137

IUPACN,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H49NO3/c1-20(34)33(18-21-14-23(29(2,3)4)27(35)24(15-21)30(5,6)7)19-22-16-25(31(8,9)10)28(36)26(17-22)32(11,12)13/h14-17,35-36H,18-19H2,1-13H3
InChIKeyVRWFVUUNMMHXQU-UHFFFAOYSA-N
MW495.75 g/mol
LogP7.84
Rot. Bonds4

About N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide

N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide (PubChem CID 4301137) has the molecular formula C32H49NO3 and a molecular weight of 495.75 g/mol. Its IUPAC name is N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide
PubChem CID4301137
Molecular FormulaC32H49NO3
Molecular Weight495.75 g/mol
Exact Mass495.37
IUPAC NameN,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H49NO3/c1-20(34)33(18-21-14-23(29(2,3)4)27(35)24(15-21)30(5,6)7)19-22-16-25(31(8,9)10)28(36)26(17-22)32(11,12)13/h14-17,35-36H,18-19H2,1-13H3
InChIKeyVRWFVUUNMMHXQU-UHFFFAOYSA-N
XLogP7.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.75
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide (CID 4301137) is N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide is CC(=O)N(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide?
The InChIKey is VRWFVUUNMMHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49NO3/c1-20(34)33(18-21-14-23(29(2,3)4)27(35)24(15-21)30(5,6)7)19-22-16-25(31(8,9)10)28(36)26(17-22)32(11,12)13/h14-17,35-36H,18-19H2,1-13H3.
What are the key properties of N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide?
N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide has a molecular weight of 495.75 g/mol, XLogP of 7.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 4301137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).