3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide

C36H54N2O4 — CID 10952469

IUPAC3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C36H54N2O4/c1-33(2,3)21-17-23(29(39)25(19-21)35(7,8)9)31(41)37-27-15-13-14-16-28(27)38-32(42)24-18-22(34(4,5)6)20-26(30(24)40)36(10,11)12/h17-20,27-28,39-40H,13-16H2,1-12H3,(H,37,41)(H,38,42)/t27-,28-/m1/s1
InChIKeyFJTLDWGOOVSLNM-VSGBNLITSA-N
MW578.84 g/mol
LogP7.76
Rot. Bonds4

About 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide

3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide (PubChem CID 10952469) has the molecular formula C36H54N2O4 and a molecular weight of 578.84 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
PubChem CID10952469
Molecular FormulaC36H54N2O4
Molecular Weight578.84 g/mol
Exact Mass578.41
IUPAC Name3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C36H54N2O4/c1-33(2,3)21-17-23(29(39)25(19-21)35(7,8)9)31(41)37-27-15-13-14-16-28(27)38-32(42)24-18-22(34(4,5)6)20-26(30(24)40)36(10,11)12/h17-20,27-28,39-40H,13-16H2,1-12H3,(H,37,41)(H,38,42)/t27-,28-/m1/s1
InChIKeyFJTLDWGOOVSLNM-VSGBNLITSA-N
XLogP7.76
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.84
LogP ≤ 57.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-ditert-butylphenol
CID 101099598
2,4-ditert-butyl-6-[[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;trichlorocobalt
CID 175919926
3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2-hydroxybenzamide
CID 175256591
[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 112815373
2,4-ditert-butyl-6-(cyclohexylamino)phenol
CID 86118767
(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone
CID 102497436
2-piperidin-1-ium-4-ylpropan-2-yl 3,5-ditert-butyl-2-hydroxybenzoate
CID 167316130
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144
3,5-ditert-butyl-2-hydroxybenzoic acid;formamide;titanium
CID 174960919

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide (CID 10952469) is 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide is CC(C)(C)c1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide?
The InChIKey is FJTLDWGOOVSLNM-VSGBNLITSA-N. The full InChI is InChI=1S/C36H54N2O4/c1-33(2,3)21-17-23(29(39)25(19-21)35(7,8)9)31(41)37-27-15-13-14-16-28(27)38-32(42)24-18-22(34(4,5)6)20-26(30(24)40)36(10,11)12/h17-20,27-28,39-40H,13-16H2,1-12H3,(H,37,41)(H,38,42)/t27-,28-/m1/s1.
What are the key properties of 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide?
3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide has a molecular weight of 578.84 g/mol, XLogP of 7.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide is sourced from PubChem (CID 10952469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).