N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide

C24H24N4O2 — CID 30308320

IUPACN-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccccc4)cc3n2)cc1C
InChIInChI=1S/C24H24N4O2/c1-16-10-12-19(14-17(16)2)28-26-21-13-11-18(15-22(21)27-28)25-23(29)24(3,4)30-20-8-6-5-7-9-20/h5-15H,1-4H3,(H,25,29)
InChIKeyMGMYSTPYIUALDU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.83
Rot. Bonds5

About N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide

N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308320) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
PubChem CID30308320
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccccc4)cc3n2)cc1C
InChIInChI=1S/C24H24N4O2/c1-16-10-12-19(14-17(16)2)28-26-21-13-11-18(15-22(21)27-28)25-23(29)24(3,4)30-20-8-6-5-7-9-20/h5-15H,1-4H3,(H,25,29)
InChIKeyMGMYSTPYIUALDU-UHFFFAOYSA-N
XLogP4.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide 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

2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide
CID 30308315
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308402
2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
CID 30308425
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
CID 5227293
5-bromo-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 4039694
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
CID 23794598
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-[4-(benzotriazol-2-yl)phenoxy]-2-methylpropanoic acid
CID 11948654
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide (CID 30308320) is N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide is Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccccc4)cc3n2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The InChIKey is MGMYSTPYIUALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-10-12-19(14-17(16)2)28-26-21-13-11-18(15-22(21)27-28)25-23(29)24(3,4)30-20-8-6-5-7-9-20/h5-15H,1-4H3,(H,25,29).
What are the key properties of N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide has a molecular weight of 400.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).