N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C20H23N5O — CID 7350235

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C20H23N5O/c1-4-14(2)16-10-7-8-12-18(16)21-19(26)13-25-23-20(22-24-25)17-11-6-5-9-15(17)3/h5-12,14H,4,13H2,1-3H3,(H,21,26)/t14-/m0/s1
InChIKeyRZZOMCZOZVZJPV-AWEZNQCLSA-N
MW349.44 g/mol
LogP3.80
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7350235) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7350235
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C20H23N5O/c1-4-14(2)16-10-7-8-12-18(16)21-19(26)13-25-23-20(22-24-25)17-11-6-5-9-15(17)3/h5-12,14H,4,13H2,1-3H3,(H,21,26)/t14-/m0/s1
InChIKeyRZZOMCZOZVZJPV-AWEZNQCLSA-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

N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
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
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7519252

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 7350235) is N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is CC[C@H](C)c1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is RZZOMCZOZVZJPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-14(2)16-10-7-8-12-18(16)21-19(26)13-25-23-20(22-24-25)17-11-6-5-9-15(17)3/h5-12,14H,4,13H2,1-3H3,(H,21,26)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-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-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7350235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).