2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C18H19N5O2 — CID 166341757

IUPAC2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1
InChIInChI=1S/C18H19N5O2/c1-12(14-6-4-8-16(24)10-14)18(25)23(2)11-13-5-3-7-15(9-13)17-19-21-22-20-17/h3-10,12,24H,11H2,1-2H3,(H,19,20,21,22)
InChIKeyZGIGLETVJVPGRR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.33
Rot. Bonds5

About 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 166341757) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID166341757
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1
InChIInChI=1S/C18H19N5O2/c1-12(14-6-4-8-16(24)10-14)18(25)23(2)11-13-5-3-7-15(9-13)17-19-21-22-20-17/h3-10,12,24H,11H2,1-2H3,(H,19,20,21,22)
InChIKeyZGIGLETVJVPGRR-UHFFFAOYSA-N
XLogP2.33
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 166341757) is 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is CC(C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is ZGIGLETVJVPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(14-6-4-8-16(24)10-14)18(25)23(2)11-13-5-3-7-15(9-13)17-19-21-22-20-17/h3-10,12,24H,11H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 166341757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).