N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide

C12H15N5O2 — CID 65109439

IUPACN-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H15N5O2/c1-12(2,19)7-13-11(18)9-3-5-10(6-4-9)17-8-14-15-16-17/h3-6,8,19H,7H2,1-2H3,(H,13,18)
InChIKeyBPPGIZSMUOATJS-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.16
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide

N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 65109439) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
PubChem CID65109439
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H15N5O2/c1-12(2,19)7-13-11(18)9-3-5-10(6-4-9)17-8-14-15-16-17/h3-6,8,19H,7H2,1-2H3,(H,13,18)
InChIKeyBPPGIZSMUOATJS-UHFFFAOYSA-N
XLogP0.16
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide (CID 65109439) is N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide is CC(C)(O)CNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is BPPGIZSMUOATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-12(2,19)7-13-11(18)9-3-5-10(6-4-9)17-8-14-15-16-17/h3-6,8,19H,7H2,1-2H3,(H,13,18).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide?
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 65109439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).