N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C20H19N5O2 — CID 134019422

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O2/c1-14(18-12-16-10-6-7-11-17(16)27-18)24(2)19(26)13-25-22-20(21-23-25)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyNSABUDJKUVKTCZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 134019422) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID134019422
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O2/c1-14(18-12-16-10-6-7-11-17(16)27-18)24(2)19(26)13-25-22-20(21-23-25)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyNSABUDJKUVKTCZ-UHFFFAOYSA-N
XLogP3.31
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996561
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 46551064
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 46551114
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 78866079
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 134019422) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CC(c1cc2ccccc2o1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is NSABUDJKUVKTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(18-12-16-10-6-7-11-17(16)27-18)24(2)19(26)13-25-22-20(21-23-25)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 134019422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).