2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide

C16H23N5O2 — CID 955478

IUPAC2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc([C@H](C)CC)cc2)n1
InChIInChI=1S/C16H23N5O2/c1-4-10-21-19-16(18-20-21)17-15(22)11-23-14-8-6-13(7-9-14)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19,22)/t12-/m1/s1
InChIKeyHDRDBOJENWTGCY-GFCCVEGCSA-N
MW317.39 g/mol
LogP2.61
Rot. Bonds8

About 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 955478) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID955478
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc([C@H](C)CC)cc2)n1
InChIInChI=1S/C16H23N5O2/c1-4-10-21-19-16(18-20-21)17-15(22)11-23-14-8-6-13(7-9-14)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19,22)/t12-/m1/s1
InChIKeyHDRDBOJENWTGCY-GFCCVEGCSA-N
XLogP2.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-methyltetrazol-5-yl)acetamide
CID 953421
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methyltetrazol-5-yl)acetamide
CID 953422
2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 894286
2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 954289
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
2-(4-butan-2-ylphenoxy)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 19631449
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
2-(4-cyclohexylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
CID 953175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide (CID 955478) is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc([C@H](C)CC)cc2)n1.
What is the InChIKey of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is HDRDBOJENWTGCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-10-21-19-16(18-20-21)17-15(22)11-23-14-8-6-13(7-9-14)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19,22)/t12-/m1/s1.
What are the key properties of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide?
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 955478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).