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

C16H16N4O — CID 2880864

IUPAC2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C16H16N4O/c1-11(2)16(21)17-12-8-9-14-15(10-12)19-20(18-14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,21)
InChIKeyKFTYVYUHWZINPU-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.02
Rot. Bonds3

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

2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide (PubChem CID 2880864) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide
PubChem CID2880864
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C16H16N4O/c1-11(2)16(21)17-12-8-9-14-15(10-12)19-20(18-14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,21)
InChIKeyKFTYVYUHWZINPU-UHFFFAOYSA-N
XLogP3.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 652622
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide (CID 2880864) is 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide is CC(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
The InChIKey is KFTYVYUHWZINPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)16(21)17-12-8-9-14-15(10-12)19-20(18-14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,21).
What are the key properties of 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide?
2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylbenzotriazol-5-yl)propanamide is sourced from PubChem (CID 2880864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).