2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide

C20H18N6O — CID 46600516

IUPAC2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
SMILESCn1nnnc1-c1cccc(NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N6O/c1-26-20(23-24-25-26)15-8-4-9-16(12-15)21-13-19(27)22-18-11-5-7-14-6-2-3-10-17(14)18/h2-12,21H,13H2,1H3,(H,22,27)
InChIKeyOQRAZCMUHAAXNV-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.08
Rot. Bonds5

About 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide

2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide (PubChem CID 46600516) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
PubChem CID46600516
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
SMILESCn1nnnc1-c1cccc(NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N6O/c1-26-20(23-24-25-26)15-8-4-9-16(12-15)21-13-19(27)22-18-11-5-7-14-6-2-3-10-17(14)18/h2-12,21H,13H2,1H3,(H,22,27)
InChIKeyOQRAZCMUHAAXNV-UHFFFAOYSA-N
XLogP3.08
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
CID 55544975
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 94171709
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]thiophene-3-carboxylate
CID 55600804

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide (CID 46600516) is 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide is Cn1nnnc1-c1cccc(NCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide?
The InChIKey is OQRAZCMUHAAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-26-20(23-24-25-26)15-8-4-9-16(12-15)21-13-19(27)22-18-11-5-7-14-6-2-3-10-17(14)18/h2-12,21H,13H2,1H3,(H,22,27).
What are the key properties of 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide?
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide has a molecular weight of 358.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 46600516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).