N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

C19H23N5O2 — CID 17402328

IUPACN-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N5O2/c25-17(20-19-9-13-6-14(10-19)8-15(7-13)11-19)12-23-18(26)24(22-21-23)16-4-2-1-3-5-16/h1-5,13-15H,6-12H2,(H,20,25)
InChIKeyZVNMJXCHJQLSAJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.51
Rot. Bonds4

About N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (PubChem CID 17402328) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
PubChem CID17402328
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N5O2/c25-17(20-19-9-13-6-14(10-19)8-15(7-13)11-19)12-23-18(26)24(22-21-23)16-4-2-1-3-5-16/h1-5,13-15H,6-12H2,(H,20,25)
InChIKeyZVNMJXCHJQLSAJ-UHFFFAOYSA-N
XLogP1.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 46558629
N-(1-adamantyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 4811965
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
N-(1-adamantyl)-2-(1,1-dioxo-6-phenyl-1,2,6-thiadiazinan-2-yl)acetamide
CID 70688131
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379967
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223452
1-[2-(1-adamantyl)-2-oxoethyl]-4-(2-chlorophenyl)tetrazol-5-one
CID 41402474
N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795070
N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 43815693

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (CID 17402328) is N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2ccccc2)c1=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The InChIKey is ZVNMJXCHJQLSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(20-19-9-13-6-14(10-19)8-15(7-13)11-19)12-23-18(26)24(22-21-23)16-4-2-1-3-5-16/h1-5,13-15H,6-12H2,(H,20,25).
What are the key properties of N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 17402328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).