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

C19H21N5O2 — CID 70802934

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)N(Cc1cccc(COC)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O2/c1-3-18(25)24(12-14-6-4-7-15(10-14)13-26-2)17-9-5-8-16(11-17)19-20-22-23-21-19/h4-11H,3,12-13H2,1-2H3,(H,20,21,22,23)
InChIKeyOWJDKBUCVAQMMS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds7

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

N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 70802934) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID70802934
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)N(Cc1cccc(COC)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O2/c1-3-18(25)24(12-14-6-4-7-15(10-14)13-26-2)17-9-5-8-16(11-17)19-20-22-23-21-19/h4-11H,3,12-13H2,1-2H3,(H,20,21,22,23)
InChIKeyOWJDKBUCVAQMMS-UHFFFAOYSA-N
XLogP2.96
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 70802934) is N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is CCC(=O)N(Cc1cccc(COC)c1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is OWJDKBUCVAQMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-18(25)24(12-14-6-4-7-15(10-14)13-26-2)17-9-5-8-16(11-17)19-20-22-23-21-19/h4-11H,3,12-13H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 70802934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).