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

C21H33N3O3 — CID 53421640

IUPACN-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-10-14(23-17(26)20(4,5)6)12-15(11-13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyCPEULHAPWXMDDV-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.64
Rot. Bonds3

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

N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide (PubChem CID 53421640) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
PubChem CID53421640
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-10-14(23-17(26)20(4,5)6)12-15(11-13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyCPEULHAPWXMDDV-UHFFFAOYSA-N
XLogP4.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide (CID 53421640) is N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CPEULHAPWXMDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-10-14(23-17(26)20(4,5)6)12-15(11-13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide?
N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 375.51 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 53421640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).