3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide

C16H16N4O2 — CID 863088

IUPAC3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCn2nnc3ccccc32)c1
InChIInChI=1S/C16H16N4O2/c1-22-13-6-4-5-12(11-13)17-16(21)9-10-20-15-8-3-2-7-14(15)18-19-20/h2-8,11H,9-10H2,1H3,(H,17,21)
InChIKeyURNKBAHUCBRKHH-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.47
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide

3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 863088) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID863088
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCn2nnc3ccccc32)c1
InChIInChI=1S/C16H16N4O2/c1-22-13-6-4-5-12(11-13)17-16(21)9-10-20-15-8-3-2-7-14(15)18-19-20/h2-8,11H,9-10H2,1H3,(H,17,21)
InChIKeyURNKBAHUCBRKHH-UHFFFAOYSA-N
XLogP2.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzotriazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5424028
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 17337681
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034792
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-(benzotriazol-1-yl)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]propanamide
CID 135490295
N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]-4-methoxybenzamide
CID 3170800
3-(benzotriazol-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5424041
N-(3-methoxyphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680279
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide (CID 863088) is 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCn2nnc3ccccc32)c1.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is URNKBAHUCBRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-13-6-4-5-12(11-13)17-16(21)9-10-20-15-8-3-2-7-14(15)18-19-20/h2-8,11H,9-10H2,1H3,(H,17,21).
What are the key properties of 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide?
3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 863088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).