N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide

C14H19N5O — CID 115612743

IUPACN-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H19N5O/c1-3-11(4-2)9-15-14(20)12-5-7-13(8-6-12)19-10-16-17-18-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,20)
InChIKeyYUHJTVXNGQRPGX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds6

About N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide

N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 115612743) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
PubChem CID115612743
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H19N5O/c1-3-11(4-2)9-15-14(20)12-5-7-13(8-6-12)19-10-16-17-18-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,20)
InChIKeyYUHJTVXNGQRPGX-UHFFFAOYSA-N
XLogP1.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 47285769

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide (CID 115612743) is N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide is CCC(CC)CNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is YUHJTVXNGQRPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-11(4-2)9-15-14(20)12-5-7-13(8-6-12)19-10-16-17-18-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,20).
What are the key properties of N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide?
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 115612743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).