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

C23H31NO2 — CID 139761934

IUPACN-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H31NO2/c1-15(25)24-20(16-11-9-8-10-12-16)17-13-18(22(2,3)4)21(26)19(14-17)23(5,6)7/h8-14,20,26H,1-7H3,(H,24,25)
InChIKeyKZNXEGBPTUQLHJ-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.21
Rot. Bonds3

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

N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide (PubChem CID 139761934) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide
PubChem CID139761934
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H31NO2/c1-15(25)24-20(16-11-9-8-10-12-16)17-13-18(22(2,3)4)21(26)19(14-17)23(5,6)7/h8-14,20,26H,1-7H3,(H,24,25)
InChIKeyKZNXEGBPTUQLHJ-UHFFFAOYSA-N
XLogP5.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide
CID 2313610
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
N-[(3,5-ditert-butyl-4-hydroxyphenyl)-(2-methylphenyl)methyl]formamide
CID 139761953
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;hydrate
CID 170872551
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol
CID 132820450
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
CID 152546221
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide (CID 139761934) is N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide?
The InChIKey is KZNXEGBPTUQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-15(25)24-20(16-11-9-8-10-12-16)17-13-18(22(2,3)4)21(26)19(14-17)23(5,6)7/h8-14,20,26H,1-7H3,(H,24,25).
What are the key properties of N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide?
N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 139761934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).