N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H21ClN6O2 — CID 119795069

IUPACN-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)CNCCOC)c1.Cl
InChIInChI=1S/C14H20N6O2.ClH/c1-3-20-14(17-18-19-20)11-5-4-6-12(9-11)16-13(21)10-15-7-8-22-2;/h4-6,9,15H,3,7-8,10H2,1-2H3,(H,16,21);1H
InChIKeyMJUKIOXVYJHVQY-UHFFFAOYSA-N
MW340.82 g/mol
LogP0.96
Rot. Bonds8

About N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119795069) has the molecular formula C14H21ClN6O2 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119795069
Molecular FormulaC14H21ClN6O2
Molecular Weight340.82 g/mol
Exact Mass340.14
IUPAC NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)CNCCOC)c1.Cl
InChIInChI=1S/C14H20N6O2.ClH/c1-3-20-14(17-18-19-20)11-5-4-6-12(9-11)16-13(21)10-15-7-8-22-2;/h4-6,9,15H,3,7-8,10H2,1-2H3,(H,16,21);1H
InChIKeyMJUKIOXVYJHVQY-UHFFFAOYSA-N
XLogP0.96
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137389
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137391
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119795069) is N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is CCn1nnnc1-c1cccc(NC(=O)CNCCOC)c1.Cl.
What is the InChIKey of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is MJUKIOXVYJHVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2.ClH/c1-3-20-14(17-18-19-20)11-5-4-6-12(9-11)16-13(21)10-15-7-8-22-2;/h4-6,9,15H,3,7-8,10H2,1-2H3,(H,16,21);1H.
What are the key properties of N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 340.82 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119795069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).