N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide

C14H19N5O — CID 78785165

IUPACN-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
SMILESCCCCN(CC)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O/c1-3-5-9-18(4-2)14(20)12-7-6-8-13(10-12)19-11-15-16-17-19/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyNXUPLHTYJAEJOF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds6

About N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide

N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide (PubChem CID 78785165) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
PubChem CID78785165
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
SMILESCCCCN(CC)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O/c1-3-5-9-18(4-2)14(20)12-7-6-8-13(10-12)19-11-15-16-17-19/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyNXUPLHTYJAEJOF-UHFFFAOYSA-N
XLogP1.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
CID 55361336
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
CID 60575562
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide (CID 78785165) is N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide is CCCCN(CC)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is NXUPLHTYJAEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-5-9-18(4-2)14(20)12-7-6-8-13(10-12)19-11-15-16-17-19/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide?
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 78785165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).