N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C13H16N6O2 — CID 7634827

IUPACN-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCCNC(=O)NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C13H16N6O2/c1-3-14-13(21)15-11(20)8-19-17-12(16-18-19)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H2,14,15,20,21)
InChIKeyODUVQLVMUMKURQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.49
Rot. Bonds4

About N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7634827) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7634827
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCCNC(=O)NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C13H16N6O2/c1-3-14-13(21)15-11(20)8-19-17-12(16-18-19)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H2,14,15,20,21)
InChIKeyODUVQLVMUMKURQ-UHFFFAOYSA-N
XLogP0.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7519252
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350149
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350235
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 7634827) is N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is CCNC(=O)NC(=O)Cn1nnc(-c2ccccc2C)n1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is ODUVQLVMUMKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-3-14-13(21)15-11(20)8-19-17-12(16-18-19)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H2,14,15,20,21).
What are the key properties of N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7634827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).