N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide

C16H23N5O3 — CID 123132730

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
SMILESCCC(C)C(CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C16H23N5O3/c1-4-11(2)14(9-22)17-15(23)10-24-13-7-5-12(6-8-13)16-18-20-21(3)19-16/h5-8,11,14,22H,4,9-10H2,1-3H3,(H,17,23)
InChIKeyBEJNUVXZEWZUHK-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.78
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide

N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide (PubChem CID 123132730) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
PubChem CID123132730
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
SMILESCCC(C)C(CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C16H23N5O3/c1-4-11(2)14(9-22)17-15(23)10-24-13-7-5-12(6-8-13)16-18-20-21(3)19-16/h5-8,11,14,22H,4,9-10H2,1-3H3,(H,17,23)
InChIKeyBEJNUVXZEWZUHK-UHFFFAOYSA-N
XLogP0.78
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R)-3-methyl-2-[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]pentanoic acid
CID 91639558
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
CID 75490894
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-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 86207484
5-[4-[4-[2-(2-methylpentan-3-ylamino)-2-oxoethoxy]phenyl]triazol-1-yl]pentanoic acid
CID 166325865
2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71705465
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 124855122
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 121239764

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide (CID 123132730) is N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide is CCC(C)C(CO)NC(=O)COc1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
The InChIKey is BEJNUVXZEWZUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-11(2)14(9-22)17-15(23)10-24-13-7-5-12(6-8-13)16-18-20-21(3)19-16/h5-8,11,14,22H,4,9-10H2,1-3H3,(H,17,23).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide?
N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 123132730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).