N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide

C15H21N5O2 — CID 100906614

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C15H21N5O2/c1-3-11(2)14(9-21)17-15(22)13-6-4-12(5-7-13)8-20-10-16-18-19-20/h4-7,10-11,14,21H,3,8-9H2,1-2H3,(H,17,22)/t11-,14-/m0/s1
InChIKeyUSEJRRNSSFZNCF-FZMZJTMJSA-N
MW303.37 g/mol
LogP0.86
Rot. Bonds7

About N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 100906614) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID100906614
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C15H21N5O2/c1-3-11(2)14(9-21)17-15(22)13-6-4-12(5-7-13)8-20-10-16-18-19-20/h4-7,10-11,14,21H,3,8-9H2,1-2H3,(H,17,22)/t11-,14-/m0/s1
InChIKeyUSEJRRNSSFZNCF-FZMZJTMJSA-N
XLogP0.86
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125438716
N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74239494
N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197439
N-[(2R)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197438
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626130
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 100906688
2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 46994156
2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide
CID 100906985
N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide (CID 100906614) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide is CC[C@H](C)[C@H](CO)NC(=O)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is USEJRRNSSFZNCF-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-11(2)14(9-21)17-15(22)13-6-4-12(5-7-13)8-20-10-16-18-19-20/h4-7,10-11,14,21H,3,8-9H2,1-2H3,(H,17,22)/t11-,14-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 303.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 100906614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).