N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride

C11H15ClN6O2 — CID 119798049

IUPACN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(OC)c(-n2cnnn2)c1.Cl
InChIInChI=1S/C11H14N6O2.ClH/c1-12-6-11(18)14-8-3-4-10(19-2)9(5-8)17-7-13-15-16-17;/h3-5,7,12H,6H2,1-2H3,(H,14,18);1H
InChIKeyBQJPGOFVGFGSSB-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.25
Rot. Bonds5

About N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119798049) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119798049
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(OC)c(-n2cnnn2)c1.Cl
InChIInChI=1S/C11H14N6O2.ClH/c1-12-6-11(18)14-8-3-4-10(19-2)9(5-8)17-7-13-15-16-17;/h3-5,7,12H,6H2,1-2H3,(H,14,18);1H
InChIKeyBQJPGOFVGFGSSB-UHFFFAOYSA-N
XLogP0.25
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
CID 154861700
3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45493492
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-[(1S,2R,6R,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 124765599

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119798049) is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1ccc(OC)c(-n2cnnn2)c1.Cl.
What is the InChIKey of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is BQJPGOFVGFGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2.ClH/c1-12-6-11(18)14-8-3-4-10(19-2)9(5-8)17-7-13-15-16-17;/h3-5,7,12H,6H2,1-2H3,(H,14,18);1H.
What are the key properties of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 298.73 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119798049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).