N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C20H23N5O — CID 16508624

IUPACN-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C20H23N5O/c1-4-14(2)16-9-11-17(12-10-16)21-19(26)13-25-23-20(22-24-25)18-8-6-5-7-15(18)3/h5-12,14H,4,13H2,1-3H3,(H,21,26)
InChIKeyFAFTXWBBXNFVLR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.80
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 16508624) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID16508624
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C20H23N5O/c1-4-14(2)16-9-11-17(12-10-16)21-19(26)13-25-23-20(22-24-25)18-8-6-5-7-15(18)3/h5-12,14H,4,13H2,1-3H3,(H,21,26)
InChIKeyFAFTXWBBXNFVLR-UHFFFAOYSA-N
XLogP3.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350235
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
CID 23829449
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4845449
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7519252
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 16508624) is N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is CCC(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is FAFTXWBBXNFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-14(2)16-9-11-17(12-10-16)21-19(26)13-25-23-20(22-24-25)18-8-6-5-7-15(18)3/h5-12,14H,4,13H2,1-3H3,(H,21,26).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 16508624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).