N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide

C18H19N5O — CID 110498373

IUPACN,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19N5O/c1-22-17(19-20-21-22)12-18(24)23(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyJXTFFZLIZWGMCJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.98
Rot. Bonds6

About N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide

N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110498373) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110498373
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1CC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19N5O/c1-22-17(19-20-21-22)12-18(24)23(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyJXTFFZLIZWGMCJ-UHFFFAOYSA-N
XLogP1.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
CID 21295275
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
2-amino-N,N-dibenzylacetamide
CID 11107897
N',N'-dibenzylbutanediamide
CID 101024490
N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 167831282
N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide
CID 135343671
N-methyl-N-[(1-methyltetrazol-5-yl)methyl]pyridine-4-carboxamide
CID 110871101
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
methyl (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(1-methyltetrazol-5-yl)propanoate
CID 22856287
N,N-dibenzyl-4-trimethylsilylbutanamide
CID 16744462

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide (CID 110498373) is N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide is Cn1nnnc1CC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is JXTFFZLIZWGMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-17(19-20-21-22)12-18(24)23(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide?
N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110498373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).