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

C14H19N5O2 — CID 126781844

IUPAC4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCCc1ccc(C(=O)N(C)CC(C)c2nn[nH]n2)c(O)c1
InChIInChI=1S/C14H19N5O2/c1-4-10-5-6-11(12(20)7-10)14(21)19(3)8-9(2)13-15-17-18-16-13/h5-7,9,20H,4,8H2,1-3H3,(H,15,16,17,18)
InChIKeySOFCSFPAFXMTJX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.34
Rot. Bonds5

About 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide

4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide (PubChem CID 126781844) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
PubChem CID126781844
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCCc1ccc(C(=O)N(C)CC(C)c2nn[nH]n2)c(O)c1
InChIInChI=1S/C14H19N5O2/c1-4-10-5-6-11(12(20)7-10)14(21)19(3)8-9(2)13-15-17-18-16-13/h5-7,9,20H,4,8H2,1-3H3,(H,15,16,17,18)
InChIKeySOFCSFPAFXMTJX-UHFFFAOYSA-N
XLogP1.34
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The IUPAC name of 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide (CID 126781844) is 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide is CCc1ccc(C(=O)N(C)CC(C)c2nn[nH]n2)c(O)c1.
What is the InChIKey of 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The InChIKey is SOFCSFPAFXMTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-10-5-6-11(12(20)7-10)14(21)19(3)8-9(2)13-15-17-18-16-13/h5-7,9,20H,4,8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 126781844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).