3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide

C21H33N3O3 — CID 121454578

IUPAC3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(CC(C)(C)C(N)=O)cc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H33N3O3/c1-19(2,3)17(26)23-14-9-13(12-21(7,8)16(22)25)10-15(11-14)24-18(27)20(4,5)6/h9-11H,12H2,1-8H3,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyAFPOEHOLMAXVIB-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.71
Rot. Bonds5

About 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide

3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide (PubChem CID 121454578) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
PubChem CID121454578
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(CC(C)(C)C(N)=O)cc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H33N3O3/c1-19(2,3)17(26)23-14-9-13(12-21(7,8)16(22)25)10-15(11-14)24-18(27)20(4,5)6/h9-11H,12H2,1-8H3,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyAFPOEHOLMAXVIB-UHFFFAOYSA-N
XLogP3.71
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide 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 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide (CID 121454578) is 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(CC(C)(C)C(N)=O)cc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is AFPOEHOLMAXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-19(2,3)17(26)23-14-9-13(12-21(7,8)16(22)25)10-15(11-14)24-18(27)20(4,5)6/h9-11H,12H2,1-8H3,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 375.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121454578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).