N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide

C14H19N5O2 — CID 103933543

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5O2/c1-13(2,14(3,4)21)15-12(20)10-7-5-9(6-8-10)11-16-18-19-17-11/h5-8,21H,1-4H3,(H,15,20)(H,16,17,18,19)
InChIKeyJAPMTPGMSPFIKL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.15
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 103933543) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID103933543
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5O2/c1-13(2,14(3,4)21)15-12(20)10-7-5-9(6-8-10)11-16-18-19-17-11/h5-8,21H,1-4H3,(H,15,20)(H,16,17,18,19)
InChIKeyJAPMTPGMSPFIKL-UHFFFAOYSA-N
XLogP1.15
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide
CID 115878235
N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
CID 106385274

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide (CID 103933543) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide is CC(C)(O)C(C)(C)NC(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is JAPMTPGMSPFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-13(2,14(3,4)21)15-12(20)10-7-5-9(6-8-10)11-16-18-19-17-11/h5-8,21H,1-4H3,(H,15,20)(H,16,17,18,19).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 103933543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).