(2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide

C28H46N2O3 — CID 41236334

IUPAC(2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide
SMILESCC[C@@](C)(NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C28H46N2O3/c1-9-28(8,25(33)29-20-13-11-10-12-14-20)30-23(31)16-15-19-17-21(26(2,3)4)24(32)22(18-19)27(5,6)7/h17-18,20,32H,9-16H2,1-8H3,(H,29,33)(H,30,31)/t28-/m1/s1
InChIKeyALWAFTWIRYEGQW-MUUNZHRXSA-N
MW458.69 g/mol
LogP5.65
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide

(2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide (PubChem CID 41236334) has the molecular formula C28H46N2O3 and a molecular weight of 458.69 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide
PubChem CID41236334
Molecular FormulaC28H46N2O3
Molecular Weight458.69 g/mol
Exact Mass458.35
IUPAC Name(2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide
SMILESCC[C@@](C)(NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C28H46N2O3/c1-9-28(8,25(33)29-20-13-11-10-12-14-20)30-23(31)16-15-19-17-21(26(2,3)4)24(32)22(18-19)27(5,6)7/h17-18,20,32H,9-16H2,1-8H3,(H,29,33)(H,30,31)/t28-/m1/s1
InChIKeyALWAFTWIRYEGQW-MUUNZHRXSA-N
XLogP5.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide (CID 41236334) is (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide is CC[C@@](C)(NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide?
The InChIKey is ALWAFTWIRYEGQW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H46N2O3/c1-9-28(8,25(33)29-20-13-11-10-12-14-20)30-23(31)16-15-19-17-21(26(2,3)4)24(32)22(18-19)27(5,6)7/h17-18,20,32H,9-16H2,1-8H3,(H,29,33)(H,30,31)/t28-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide?
(2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide has a molecular weight of 458.69 g/mol, XLogP of 5.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-2-methylbutanamide is sourced from PubChem (CID 41236334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).