2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide

C22H20N4O2 — CID 30308315

IUPAC2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C22H20N4O2/c1-22(2,28-18-11-7-4-8-12-18)21(27)23-16-13-14-19-20(15-16)25-26(24-19)17-9-5-3-6-10-17/h3-15H,1-2H3,(H,23,27)
InChIKeyQQBQWSMZDOSUQT-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide

2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide (PubChem CID 30308315) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide
PubChem CID30308315
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C22H20N4O2/c1-22(2,28-18-11-7-4-8-12-18)21(27)23-16-13-14-19-20(15-16)25-26(24-19)17-9-5-3-6-10-17/h3-15H,1-2H3,(H,23,27)
InChIKeyQQBQWSMZDOSUQT-UHFFFAOYSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308320
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
CID 30308425
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308402
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
dimethyl (E)-2-[(2-phenylbenzotriazol-5-yl)amino]but-2-enedioate
CID 168566704
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
2-[4-(benzotriazol-2-yl)phenoxy]-2-methylpropanoic acid
CID 11948654
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide
CID 30309509
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide?
The IUPAC name of 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide (CID 30308315) is 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide is CC(C)(Oc1ccccc1)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide?
The InChIKey is QQBQWSMZDOSUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-22(2,28-18-11-7-4-8-12-18)21(27)23-16-13-14-19-20(15-16)25-26(24-19)17-9-5-3-6-10-17/h3-15H,1-2H3,(H,23,27).
What are the key properties of 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide?
2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide has a molecular weight of 372.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide is sourced from PubChem (CID 30308315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).