2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide

C12H16N4O2 — CID 35523277

IUPAC2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C12H16N4O2/c1-18-8-4-7-13-12(17)9-16-11-6-3-2-5-10(11)14-15-16/h2-3,5-6H,4,7-9H2,1H3,(H,13,17)
InChIKeyXZHVAALGXUTHKC-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.58
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide

2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 35523277) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID35523277
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C12H16N4O2/c1-18-8-4-7-13-12(17)9-16-11-6-3-2-5-10(11)14-15-16/h2-3,5-6H,4,7-9H2,1H3,(H,13,17)
InChIKeyXZHVAALGXUTHKC-UHFFFAOYSA-N
XLogP0.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide 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-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
methyl N-[2-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamoylamino]ethyl]carbamate
CID 166386173
1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea
CID 9086734
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
CID 23610176
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642725

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide (CID 35523277) is 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is XZHVAALGXUTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-8-4-7-13-12(17)9-16-11-6-3-2-5-10(11)14-15-16/h2-3,5-6H,4,7-9H2,1H3,(H,13,17).
What are the key properties of 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide?
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 35523277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).