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'}

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

N-(3,3-diphenylpropyl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95723724
N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide
CID 74546278
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 114143979
2-morpholin-3-yl-N-octylacetamide
CID 113337235
N-[3-(benzotriazol-1-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72865183
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[3-(benzotriazol-1-yl)propyl]propanamide
CID 134127687
N-[3-(benzotriazol-1-yl)propyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97444802
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide
CID 166286736
2-morpholin-3-yl-1-phenylethanone
CID 14753828
N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653

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).