N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C20H21N5O2 — CID 46810970

IUPACN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(-n2cnnn2)cc1)C1CCCc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-24(19-8-4-6-15-5-2-3-7-18(15)19)20(26)13-27-17-11-9-16(10-12-17)25-14-21-22-23-25/h2-3,5,7,9-12,14,19H,4,6,8,13H2,1H3
InChIKeyOSJVXQMLNYMPKL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.58
Rot. Bonds5

About N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 46810970) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID46810970
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(-n2cnnn2)cc1)C1CCCc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-24(19-8-4-6-15-5-2-3-7-18(15)19)20(26)13-27-17-11-9-16(10-12-17)25-14-21-22-23-25/h2-3,5,7,9-12,14,19H,4,6,8,13H2,1H3
InChIKeyOSJVXQMLNYMPKL-UHFFFAOYSA-N
XLogP2.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanophenoxy)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9457337
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 99981768
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 2473402
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 9457603
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551310
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55364946
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-methyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8659167
1-[(2R)-2-ethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 95253981
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46612021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 46810970) is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CN(C(=O)COc1ccc(-n2cnnn2)cc1)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is OSJVXQMLNYMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(19-8-4-6-15-5-2-3-7-18(15)19)20(26)13-27-17-11-9-16(10-12-17)25-14-21-22-23-25/h2-3,5,7,9-12,14,19H,4,6,8,13H2,1H3.
What are the key properties of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 46810970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).