3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide

C48H64N2O4 — CID 59265267

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(C)c2)ccc1NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C48H64N2O4/c1-29-23-33(17-19-39(29)49-41(51)21-15-31-25-35(45(3,4)5)43(53)36(26-31)46(6,7)8)34-18-20-40(30(2)24-34)50-42(52)22-16-32-27-37(47(9,10)11)44(54)38(28-32)48(12,13)14/h17-20,23-28,53-54H,15-16,21-22H2,1-14H3,(H,49,51)(H,50,52)
InChIKeyWQKWZIMBRAHVAD-UHFFFAOYSA-N
MW733.05 g/mol
LogP11.71
Rot. Bonds9

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide (PubChem CID 59265267) has the molecular formula C48H64N2O4 and a molecular weight of 733.05 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
PubChem CID59265267
Molecular FormulaC48H64N2O4
Molecular Weight733.05 g/mol
Exact Mass732.49
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(C)c2)ccc1NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C48H64N2O4/c1-29-23-33(17-19-39(29)49-41(51)21-15-31-25-35(45(3,4)5)43(53)36(26-31)46(6,7)8)34-18-20-40(30(2)24-34)50-42(52)22-16-32-27-37(47(9,10)11)44(54)38(28-32)48(12,13)14/h17-20,23-28,53-54H,15-16,21-22H2,1-14H3,(H,49,51)(H,50,52)
InChIKeyWQKWZIMBRAHVAD-UHFFFAOYSA-N
XLogP11.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.05
LogP ≤ 511.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
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CID 3810668
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
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3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
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3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
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3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium
CID 58729890
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide (CID 59265267) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide is Cc1cc(-c2ccc(NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(C)c2)ccc1NC(=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-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide?
The InChIKey is WQKWZIMBRAHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64N2O4/c1-29-23-33(17-19-39(29)49-41(51)21-15-31-25-35(45(3,4)5)43(53)36(26-31)46(6,7)8)34-18-20-40(30(2)24-34)50-42(52)22-16-32-27-37(47(9,10)11)44(54)38(28-32)48(12,13)14/h17-20,23-28,53-54H,15-16,21-22H2,1-14H3,(H,49,51)(H,50,52).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide has a molecular weight of 733.05 g/mol, XLogP of 11.71, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide is sourced from PubChem (CID 59265267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).