2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide

C13H17N5O — CID 86802081

IUPAC2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCCc1ccccc1C(=O)NCC(C)c1nn[nH]n1
InChIInChI=1S/C13H17N5O/c1-3-10-6-4-5-7-11(10)13(19)14-8-9(2)12-15-17-18-16-12/h4-7,9H,3,8H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyIUUPFBYQXMRLBA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.30
Rot. Bonds5

About 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide

2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide (PubChem CID 86802081) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
PubChem CID86802081
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCCc1ccccc1C(=O)NCC(C)c1nn[nH]n1
InChIInChI=1S/C13H17N5O/c1-3-10-6-4-5-7-11(10)13(19)14-8-9(2)12-15-17-18-16-12/h4-7,9H,3,8H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyIUUPFBYQXMRLBA-UHFFFAOYSA-N
XLogP1.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
CID 103820546
5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide
CID 75523052
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
6-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 62174936
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799
4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 126781844
2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99606591
2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide
CID 100644821
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The IUPAC name of 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide (CID 86802081) is 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The canonical SMILES for 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide is CCc1ccccc1C(=O)NCC(C)c1nn[nH]n1.
What is the InChIKey of 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The InChIKey is IUUPFBYQXMRLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-10-6-4-5-7-11(10)13(19)14-8-9(2)12-15-17-18-16-12/h4-7,9H,3,8H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 86802081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).