N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C21H19N5O2 — CID 40769723

IUPACN-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESC[C@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1cccc2ccccc12
InChIInChI=1S/C21H19N5O2/c1-15(19-11-4-7-16-6-2-3-10-20(16)19)23-21(27)13-28-18-9-5-8-17(12-18)26-14-22-24-25-26/h2-12,14-15H,13H2,1H3,(H,23,27)/t15-/m0/s1
InChIKeyPYSLUUABGLGZIB-HNNXBMFYSA-N
MW373.42 g/mol
LogP3.07
Rot. Bonds6

About N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 40769723) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID40769723
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESC[C@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1cccc2ccccc12
InChIInChI=1S/C21H19N5O2/c1-15(19-11-4-7-16-6-2-3-10-20(16)19)23-21(27)13-28-18-9-5-8-17(12-18)26-14-22-24-25-26/h2-12,14-15H,13H2,1H3,(H,23,27)/t15-/m0/s1
InChIKeyPYSLUUABGLGZIB-HNNXBMFYSA-N
XLogP3.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769152
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-[1-(2-methylpyrazol-3-yl)propyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 91839880
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 41048048
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469
2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 42933234
2-(2-hydroxyphenoxy)-N-(1-naphthalen-1-ylethyl)acetamide
CID 78777927
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 40769723) is N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is C[C@H](NC(=O)COc1cccc(-n2cnnn2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is PYSLUUABGLGZIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-15(19-11-4-7-16-6-2-3-10-20(16)19)23-21(27)13-28-18-9-5-8-17(12-18)26-14-22-24-25-26/h2-12,14-15H,13H2,1H3,(H,23,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-1-ylethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 40769723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).