N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide

C23H24N2O2 — CID 46101067

IUPACN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)22(26)25(4)17-12-9-16(10-13-17)21-19-14-11-15-7-5-6-8-18(15)20(19)24-27-21/h5-10,12-13H,11,14H2,1-4H3
InChIKeySOAVRVYAQJRLKL-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.12
Rot. Bonds2

About N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide

N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide (PubChem CID 46101067) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide
PubChem CID46101067
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)22(26)25(4)17-12-9-16(10-13-17)21-19-14-11-15-7-5-6-8-18(15)20(19)24-27-21/h5-10,12-13H,11,14H2,1-4H3
InChIKeySOAVRVYAQJRLKL-UHFFFAOYSA-N
XLogP5.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide (CID 46101067) is N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(-c2onc3c2CCc2ccccc2-3)cc1.
What is the InChIKey of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is SOAVRVYAQJRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)22(26)25(4)17-12-9-16(10-13-17)21-19-14-11-15-7-5-6-8-18(15)20(19)24-27-21/h5-10,12-13H,11,14H2,1-4H3.
What are the key properties of N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide?
N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 46101067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).