N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride

C15H22ClN5O2 — CID 154892791

IUPACN-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1COCCN1)NCCCn1nnc2ccccc21
InChIInChI=1S/C15H21N5O2.ClH/c21-15(10-12-11-22-9-7-16-12)17-6-3-8-20-14-5-2-1-4-13(14)18-19-20;/h1-2,4-5,12,16H,3,6-11H2,(H,17,21);1H
InChIKeyZZCWKDHDFIIZFY-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.74
Rot. Bonds6

About N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride

N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride (PubChem CID 154892791) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
PubChem CID154892791
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC NameN-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1COCCN1)NCCCn1nnc2ccccc21
InChIInChI=1S/C15H21N5O2.ClH/c21-15(10-12-11-22-9-7-16-12)17-6-3-8-20-14-5-2-1-4-13(14)18-19-20;/h1-2,4-5,12,16H,3,6-11H2,(H,17,21);1H
InChIKeyZZCWKDHDFIIZFY-UHFFFAOYSA-N
XLogP0.74
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride (CID 154892791) is N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1COCCN1)NCCCn1nnc2ccccc21.
What is the InChIKey of N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride?
The InChIKey is ZZCWKDHDFIIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.ClH/c21-15(10-12-11-22-9-7-16-12)17-6-3-8-20-14-5-2-1-4-13(14)18-19-20;/h1-2,4-5,12,16H,3,6-11H2,(H,17,21);1H.
What are the key properties of N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride?
N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 154892791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).