2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide

C20H21N5O — CID 51113096

IUPAC2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCc2ccccc21
InChIInChI=1S/C20H21N5O/c26-19(14-25-23-20(22-24-25)16-8-2-1-3-9-16)21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-5,7-9,12,17H,6,10-11,13-14H2,(H,21,26)
InChIKeyBWGHVEWIEXHWQI-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.58
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide

2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (PubChem CID 51113096) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
PubChem CID51113096
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCc2ccccc21
InChIInChI=1S/C20H21N5O/c26-19(14-25-23-20(22-24-25)16-8-2-1-3-9-16)21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-5,7-9,12,17H,6,10-11,13-14H2,(H,21,26)
InChIKeyBWGHVEWIEXHWQI-UHFFFAOYSA-N
XLogP2.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119513221
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9355681
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7490980
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929871
2-(2,4-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 71877563
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 97094354
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 86944767
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (CID 51113096) is 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCc2ccccc21.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The InChIKey is BWGHVEWIEXHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19(14-25-23-20(22-24-25)16-8-2-1-3-9-16)21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-5,7-9,12,17H,6,10-11,13-14H2,(H,21,26).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 51113096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).