N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide

C17H17N5O3 — CID 17457964

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H17N5O3/c1-11(23)18-12-7-8-16(25-2)14(9-12)19-17(24)10-22-15-6-4-3-5-13(15)20-21-22/h3-9H,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyCOGLFXPSVABGMC-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.04
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide (PubChem CID 17457964) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
PubChem CID17457964
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H17N5O3/c1-11(23)18-12-7-8-16(25-2)14(9-12)19-17(24)10-22-15-6-4-3-5-13(15)20-21-22/h3-9H,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyCOGLFXPSVABGMC-UHFFFAOYSA-N
XLogP2.04
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
CID 8002209
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
N-(5-acetamido-2-methoxyphenyl)-2-(2-methylindol-1-yl)acetamide
CID 17419691
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(benzotriazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1110815
2-(benzotriazol-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6897679
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
(4-acetamidophenyl) 2-(benzotriazol-1-yl)acetate
CID 51189087
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide (CID 17457964) is N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)Cn1nnc2ccccc21.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide?
The InChIKey is COGLFXPSVABGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11(23)18-12-7-8-16(25-2)14(9-12)19-17(24)10-22-15-6-4-3-5-13(15)20-21-22/h3-9H,10H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide is sourced from PubChem (CID 17457964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).