2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide

C17H22N6O2 — CID 119798058

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1-n1cnnn1
InChIInChI=1S/C17H22N6O2/c1-25-16-5-4-14(9-15(16)23-10-18-21-22-23)20-17(24)8-11-6-12-2-3-13(7-11)19-12/h4-5,9-13,19H,2-3,6-8H2,1H3,(H,20,24)
InChIKeyVTCDRIRKKDZXPV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.53
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 119798058) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID119798058
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1-n1cnnn1
InChIInChI=1S/C17H22N6O2/c1-25-16-5-4-14(9-15(16)23-10-18-21-22-23)20-17(24)8-11-6-12-2-3-13(7-11)19-12/h4-5,9-13,19H,2-3,6-8H2,1H3,(H,20,24)
InChIKeyVTCDRIRKKDZXPV-UHFFFAOYSA-N
XLogP1.53
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.53
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]-2-(methylamino)acetamide;hydrochloride
CID 119798049
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 119688395
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
2-[(1S,2S,6R,7S,8R,10R)-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 124765602
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 86207096
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
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
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide (CID 119798058) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide is COc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1-n1cnnn1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is VTCDRIRKKDZXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-25-16-5-4-14(9-15(16)23-10-18-21-22-23)20-17(24)8-11-6-12-2-3-13(7-11)19-12/h4-5,9-13,19H,2-3,6-8H2,1H3,(H,20,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 119798058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).