3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide

C20H23N5O2 — CID 122640774

IUPAC3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(-c2ccc(OC)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H23N5O2/c1-5-20(2,3)22-19(26)16-10-15(14-6-8-18(27-4)9-7-14)11-17(12-16)25-13-21-23-24-25/h6-13H,5H2,1-4H3,(H,22,26)
InChIKeyAHOUXPSFQKIVJC-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.26
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide

3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide (PubChem CID 122640774) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
PubChem CID122640774
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(-c2ccc(OC)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H23N5O2/c1-5-20(2,3)22-19(26)16-10-15(14-6-8-18(27-4)9-7-14)11-17(12-16)25-13-21-23-24-25/h6-13H,5H2,1-4H3,(H,22,26)
InChIKeyAHOUXPSFQKIVJC-UHFFFAOYSA-N
XLogP3.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(4-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 26348072
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 42405028
N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
CID 26326986
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide (CID 122640774) is 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide is CCC(C)(C)NC(=O)c1cc(-c2ccc(OC)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is AHOUXPSFQKIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-5-20(2,3)22-19(26)16-10-15(14-6-8-18(27-4)9-7-14)11-17(12-16)25-13-21-23-24-25/h6-13H,5H2,1-4H3,(H,22,26).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide?
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 365.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122640774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).