N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C19H19N5O3 — CID 7769152

IUPACN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H19N5O3/c1-14(25)18(10-15-6-3-2-4-7-15)21-19(26)12-27-17-9-5-8-16(11-17)24-13-20-22-23-24/h2-9,11,13,18H,10,12H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyFGUUNSWTYVWOCW-SFHVURJKSA-N
MW365.39 g/mol
LogP1.36
Rot. Bonds8

About N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7769152) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7769152
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H19N5O3/c1-14(25)18(10-15-6-3-2-4-7-15)21-19(26)12-27-17-9-5-8-16(11-17)24-13-20-22-23-24/h2-9,11,13,18H,10,12H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyFGUUNSWTYVWOCW-SFHVURJKSA-N
XLogP1.36
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 40769723
N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 91839880
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206
2-(3-nitrophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7865569
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7769152) is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is FGUUNSWTYVWOCW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-14(25)18(10-15-6-3-2-4-7-15)21-19(26)12-27-17-9-5-8-16(11-17)24-13-20-22-23-24/h2-9,11,13,18H,10,12H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7769152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).