N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide

C16H23N5O — CID 43912872

IUPACN-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H23N5O/c1-12(2)5-4-6-13(3)18-16(22)14-7-9-15(10-8-14)21-11-17-19-20-21/h7-13H,4-6H2,1-3H3,(H,18,22)
InChIKeyGCMNCFDNURKEEP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.61
Rot. Bonds7

About N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide

N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 43912872) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID43912872
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H23N5O/c1-12(2)5-4-6-13(3)18-16(22)14-7-9-15(10-8-14)21-11-17-19-20-21/h7-13H,4-6H2,1-3H3,(H,18,22)
InChIKeyGCMNCFDNURKEEP-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 50950440
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
CID 50980294
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide (CID 43912872) is N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide is CC(C)CCCC(C)NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is GCMNCFDNURKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)5-4-6-13(3)18-16(22)14-7-9-15(10-8-14)21-11-17-19-20-21/h7-13H,4-6H2,1-3H3,(H,18,22).
What are the key properties of N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide?
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 43912872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).