N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C19H21N5O2 — CID 7769056

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O2/c1-13(2)17-9-4-6-14(3)19(17)21-18(25)11-26-16-8-5-7-15(10-16)24-12-20-22-23-24/h4-10,12-13H,11H2,1-3H3,(H,21,25)
InChIKeyMCYGYBFFCJOZGC-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.11
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7769056) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7769056
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O2/c1-13(2)17-9-4-6-14(3)19(17)21-18(25)11-26-16-8-5-7-15(10-16)24-12-20-22-23-24/h4-10,12-13H,11H2,1-3H3,(H,21,25)
InChIKeyMCYGYBFFCJOZGC-UHFFFAOYSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 26728522
N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 40769723
N-(2,3-dimethylphenyl)-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
CID 7768966
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55733747
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7769056) is N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is Cc1cccc(C(C)C)c1NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is MCYGYBFFCJOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(2)17-9-4-6-14(3)19(17)21-18(25)11-26-16-8-5-7-15(10-16)24-12-20-22-23-24/h4-10,12-13H,11H2,1-3H3,(H,21,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7769056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).