N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide

C11H13N5O — CID 110498034

IUPACN-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C11H13N5O/c1-16(8-9-5-3-2-4-6-9)11(17)7-10-12-14-15-13-10/h2-6H,7-8H2,1H3,(H,12,13,14,15)
InChIKeyPCMYJNNSLGTKCC-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.40
Rot. Bonds4

About N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide

N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110498034) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110498034
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C11H13N5O/c1-16(8-9-5-3-2-4-6-9)11(17)7-10-12-14-15-13-10/h2-6H,7-8H2,1H3,(H,12,13,14,15)
InChIKeyPCMYJNNSLGTKCC-UHFFFAOYSA-N
XLogP0.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 110498043
N-benzyl-N-methyl-4-(2H-tetrazol-5-ylsulfanyl)butanamide
CID 21295517
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
CID 23368261
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide (CID 110498034) is N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide is CN(Cc1ccccc1)C(=O)Cc1nn[nH]n1.
What is the InChIKey of N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is PCMYJNNSLGTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16(8-9-5-3-2-4-6-9)11(17)7-10-12-14-15-13-10/h2-6H,7-8H2,1H3,(H,12,13,14,15).
What are the key properties of N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide?
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110498034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).