2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C19H21N5O2 — CID 26728522

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)ccc1C(C)C
InChIInChI=1S/C19H21N5O2/c1-13(2)18-9-8-17(10-14(18)3)26-11-19(25)21-15-4-6-16(7-5-15)24-12-20-22-23-24/h4-10,12-13H,11H2,1-3H3,(H,21,25)
InChIKeyPIZCQOMOOWBWIB-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.11
Rot. Bonds6

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 26728522) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID26728522
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)ccc1C(C)C
InChIInChI=1S/C19H21N5O2/c1-13(2)18-9-8-17(10-14(18)3)26-11-19(25)21-15-4-6-16(7-5-15)24-12-20-22-23-24/h4-10,12-13H,11H2,1-3H3,(H,21,25)
InChIKeyPIZCQOMOOWBWIB-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-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 26728522) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is PIZCQOMOOWBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(2)18-9-8-17(10-14(18)3)26-11-19(25)21-15-4-6-16(7-5-15)24-12-20-22-23-24/h4-10,12-13H,11H2,1-3H3,(H,21,25).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]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 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 26728522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).