3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C14H19N5O — CID 50948741

IUPAC3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C14H19N5O/c1-9-6-10(2)8-12(7-9)4-5-13(20)15-11(3)14-16-18-19-17-14/h6-8,11H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyKTUGZQBMSYOYRH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds5

About 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 50948741) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID50948741
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C14H19N5O/c1-9-6-10(2)8-12(7-9)4-5-13(20)15-11(3)14-16-18-19-17-14/h6-8,11H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19)
InChIKeyKTUGZQBMSYOYRH-UHFFFAOYSA-N
XLogP1.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 50948741) is 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is Cc1cc(C)cc(CCC(=O)NC(C)c2nn[nH]n2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is KTUGZQBMSYOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-6-10(2)8-12(7-9)4-5-13(20)15-11(3)14-16-18-19-17-14/h6-8,11H,4-5H2,1-3H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 50948741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).