N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide

C13H17N5O2 — CID 45491400

IUPACN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C)cc1-n1cnnn1
InChIInChI=1S/C13H17N5O2/c1-9(2)6-13(19)15-10-4-5-12(20-3)11(7-10)18-8-14-16-17-18/h4-5,7-9H,6H2,1-3H3,(H,15,19)
InChIKeyJGADSFYXZFXLGN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.66
Rot. Bonds5

About N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide (PubChem CID 45491400) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
PubChem CID45491400
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C)cc1-n1cnnn1
InChIInChI=1S/C13H17N5O2/c1-9(2)6-13(19)15-10-4-5-12(20-3)11(7-10)18-8-14-16-17-18/h4-5,7-9H,6H2,1-3H3,(H,15,19)
InChIKeyJGADSFYXZFXLGN-UHFFFAOYSA-N
XLogP1.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058
2-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 86207096
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-[(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]-3-methylbutanamide?
The IUPAC name of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide (CID 45491400) is N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide is COc1ccc(NC(=O)CC(C)C)cc1-n1cnnn1.
What is the InChIKey of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide?
The InChIKey is JGADSFYXZFXLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(2)6-13(19)15-10-4-5-12(20-3)11(7-10)18-8-14-16-17-18/h4-5,7-9H,6H2,1-3H3,(H,15,19).
What are the key properties of N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide?
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide has a molecular weight of 275.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 45491400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).