2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide

C30H52N2O3 — CID 91692849

IUPAC2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide
SMILESCCC(C)(C)c1ccc(OC(C(=O)NC2CC(C)(C)N(O)C2(C)C)C(C)(C)C)c(C(C)(C)CC)c1
InChIInChI=1S/C30H52N2O3/c1-14-27(6,7)20-16-17-22(21(18-20)28(8,9)15-2)35-24(26(3,4)5)25(33)31-23-19-29(10,11)32(34)30(23,12)13/h16-18,23-24,34H,14-15,19H2,1-13H3,(H,31,33)
InChIKeyVGJCMHZNIMIUKV-UHFFFAOYSA-N
MW488.76 g/mol
LogP6.99
Rot. Bonds8

About 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide (PubChem CID 91692849) has the molecular formula C30H52N2O3 and a molecular weight of 488.76 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide
PubChem CID91692849
Molecular FormulaC30H52N2O3
Molecular Weight488.76 g/mol
Exact Mass488.40
IUPAC Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide
SMILESCCC(C)(C)c1ccc(OC(C(=O)NC2CC(C)(C)N(O)C2(C)C)C(C)(C)C)c(C(C)(C)CC)c1
InChIInChI=1S/C30H52N2O3/c1-14-27(6,7)20-16-17-22(21(18-20)28(8,9)15-2)35-24(26(3,4)5)25(33)31-23-19-29(10,11)32(34)30(23,12)13/h16-18,23-24,34H,14-15,19H2,1-13H3,(H,31,33)
InChIKeyVGJCMHZNIMIUKV-UHFFFAOYSA-N
XLogP6.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.76
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide 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

3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
CID 163614465
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
CID 57085661
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-ethylpentanoyl chloride
CID 56606464
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexan-1-ol;hydrochloride
CID 70357884
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxycyclohexa-2,4-dien-1-yl)butanamide
CID 59929261
[2,4-bis(2-methylbutan-2-yl)phenyl] 3,5-ditert-butylbenzoate
CID 57060342
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
[2,4-bis(2-methylbutan-2-yl)phenyl] N-[(1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 91523883
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chlorophenyl)-N-hydroxybutanamide
CID 57239890

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide?
The IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide (CID 91692849) is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide is CCC(C)(C)c1ccc(OC(C(=O)NC2CC(C)(C)N(O)C2(C)C)C(C)(C)C)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide?
The InChIKey is VGJCMHZNIMIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N2O3/c1-14-27(6,7)20-16-17-22(21(18-20)28(8,9)15-2)35-24(26(3,4)5)25(33)31-23-19-29(10,11)32(34)30(23,12)13/h16-18,23-24,34H,14-15,19H2,1-13H3,(H,31,33).
What are the key properties of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide?
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide has a molecular weight of 488.76 g/mol, XLogP of 6.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 91692849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).