N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C19H21N5O2 — CID 51231033

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2nnc(COc3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-15-8-10-16(11-9-15)12-23(2)19(25)13-24-21-18(20-22-24)14-26-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKeyLJUNHEKSIYPKBN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.22
Rot. Bonds7

About N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 51231033) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID51231033
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2nnc(COc3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-15-8-10-16(11-9-15)12-23(2)19(25)13-24-21-18(20-22-24)14-26-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKeyLJUNHEKSIYPKBN-UHFFFAOYSA-N
XLogP2.22
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9071492
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9092211
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820053
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 46627699
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 51231033) is N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is Cc1ccc(CN(C)C(=O)Cn2nnc(COc3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is LJUNHEKSIYPKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-15-8-10-16(11-9-15)12-23(2)19(25)13-24-21-18(20-22-24)14-26-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 51231033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).