N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide

C13H17N5O2 — CID 79384598

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H17N5O2/c1-13(2,20)8-18(3)12(19)10-6-4-9(5-7-10)11-14-16-17-15-11/h4-7,20H,8H2,1-3H3,(H,14,15,16,17)
InChIKeyGNRPUPRTCHXZIW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.71
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 79384598) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
PubChem CID79384598
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H17N5O2/c1-13(2,20)8-18(3)12(19)10-6-4-9(5-7-10)11-14-16-17-15-11/h4-7,20H,8H2,1-3H3,(H,14,15,16,17)
InChIKeyGNRPUPRTCHXZIW-UHFFFAOYSA-N
XLogP0.71
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 60827027
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
4-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385792
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
CID 79380554
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide (CID 79384598) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide is CN(CC(C)(C)O)C(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is GNRPUPRTCHXZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,20)8-18(3)12(19)10-6-4-9(5-7-10)11-14-16-17-15-11/h4-7,20H,8H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 79384598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).