5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide

C16H24N6O2 — CID 167966168

IUPAC5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN(C)C)cc1-n1cnnn1
InChIInChI=1S/C16H24N6O2/c1-12(10-21(2)3)5-8-16(23)18-13-6-7-15(24-4)14(9-13)22-11-17-19-20-22/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,18,23)
InChIKeyLFXVHOUFAAADOI-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.59
Rot. Bonds8

About 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide

5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide (PubChem CID 167966168) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
PubChem CID167966168
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN(C)C)cc1-n1cnnn1
InChIInChI=1S/C16H24N6O2/c1-12(10-21(2)3)5-8-16(23)18-13-6-7-15(24-4)14(9-13)22-11-17-19-20-22/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,18,23)
InChIKeyLFXVHOUFAAADOI-UHFFFAOYSA-N
XLogP1.59
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-(2-phenylphenoxy)propanamide
CID 154861700
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45493492
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058
3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969
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 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
The IUPAC name of 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide (CID 167966168) is 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide is COc1ccc(NC(=O)CCC(C)CN(C)C)cc1-n1cnnn1.
What is the InChIKey of 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
The InChIKey is LFXVHOUFAAADOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(10-21(2)3)5-8-16(23)18-13-6-7-15(24-4)14(9-13)22-11-17-19-20-22/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,18,23).
What are the key properties of 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide has a molecular weight of 332.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 167966168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).