2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C15H21N5O2 — CID 39854876

IUPAC2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCCN1CCOCC1
InChIInChI=1S/C15H21N5O2/c21-15(16-6-3-7-19-8-10-22-11-9-19)12-20-14-5-2-1-4-13(14)17-18-20/h1-2,4-5H,3,6-12H2,(H,16,21)
InChIKeyBZGWEKBAKHTQPF-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.27
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 39854876) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID39854876
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCCN1CCOCC1
InChIInChI=1S/C15H21N5O2/c21-15(16-6-3-7-19-8-10-22-11-9-19)12-20-14-5-2-1-4-13(14)17-18-20/h1-2,4-5H,3,6-12H2,(H,16,21)
InChIKeyBZGWEKBAKHTQPF-UHFFFAOYSA-N
XLogP0.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582303
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 10829295
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
2-(benzotriazol-1-yl)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19297781
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 51336102

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 39854876) is 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cn1nnc2ccccc21)NCCCN1CCOCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is BZGWEKBAKHTQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-15(16-6-3-7-19-8-10-22-11-9-19)12-20-14-5-2-1-4-13(14)17-18-20/h1-2,4-5H,3,6-12H2,(H,16,21).
What are the key properties of 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 39854876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).