2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide

C20H23N5O — CID 7519252

IUPAC2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)Cn1nnc(-c2ccccc2C)n1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-3-9-18(16-11-5-4-6-12-16)21-19(26)14-25-23-20(22-24-25)17-13-8-7-10-15(17)2/h4-8,10-13,18H,3,9,14H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyKPTSPCDEOQJSJQ-SFHVURJKSA-N
MW349.44 g/mol
LogP3.31
Rot. Bonds7

About 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide

2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide (PubChem CID 7519252) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
PubChem CID7519252
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)Cn1nnc(-c2ccccc2C)n1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-3-9-18(16-11-5-4-6-12-16)21-19(26)14-25-23-20(22-24-25)17-13-8-7-10-15(17)2/h4-8,10-13,18H,3,9,14H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyKPTSPCDEOQJSJQ-SFHVURJKSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
ethyl 3-(4-methoxyphenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 5296511
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
ethyl 3-(2-chlorophenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 4976813
ethyl (3R)-3-(2-chlorophenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 42584056
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4804867
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8685269
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide?
The IUPAC name of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide (CID 7519252) is 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide is CCC[C@H](NC(=O)Cn1nnc(-c2ccccc2C)n1)c1ccccc1.
What is the InChIKey of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide?
The InChIKey is KPTSPCDEOQJSJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-9-18(16-11-5-4-6-12-16)21-19(26)14-25-23-20(22-24-25)17-13-8-7-10-15(17)2/h4-8,10-13,18H,3,9,14H2,1-2H3,(H,21,26)/t18-/m0/s1.
What are the key properties of 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide?
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide is sourced from PubChem (CID 7519252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).