[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate

C24H30N6O4 — CID 59337203

IUPAC[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate
SMILESO=C(NCc1nn[nH]n1)OC1CN(C(=O)CC2(c3ccccc3)C3CC4CC2CC(C3)C4O)C1
InChIInChI=1S/C24H30N6O4/c31-21(30-12-19(13-30)34-23(33)25-11-20-26-28-29-27-20)10-24(16-4-2-1-3-5-16)17-6-14-7-18(24)9-15(8-17)22(14)32/h1-5,14-15,17-19,22,32H,6-13H2,(H,25,33)(H,26,27,28,29)
InChIKeyAGSYBDKVODHLBI-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.39
Rot. Bonds6

About [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate

[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate (PubChem CID 59337203) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Name[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate
PubChem CID59337203
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate
SMILESO=C(NCc1nn[nH]n1)OC1CN(C(=O)CC2(c3ccccc3)C3CC4CC2CC(C3)C4O)C1
InChIInChI=1S/C24H30N6O4/c31-21(30-12-19(13-30)34-23(33)25-11-20-26-28-29-27-20)10-24(16-4-2-1-3-5-16)17-6-14-7-18(24)9-15(8-17)22(14)32/h1-5,14-15,17-19,22,32H,6-13H2,(H,25,33)(H,26,27,28,29)
InChIKeyAGSYBDKVODHLBI-UHFFFAOYSA-N
XLogP1.39
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate?
The IUPAC name of [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate (CID 59337203) is [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate.
What is the SMILES notation for [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate?
The canonical SMILES for [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate is O=C(NCc1nn[nH]n1)OC1CN(C(=O)CC2(c3ccccc3)C3CC4CC2CC(C3)C4O)C1.
What is the InChIKey of [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate?
The InChIKey is AGSYBDKVODHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c31-21(30-12-19(13-30)34-23(33)25-11-20-26-28-29-27-20)10-24(16-4-2-1-3-5-16)17-6-14-7-18(24)9-15(8-17)22(14)32/h1-5,14-15,17-19,22,32H,6-13H2,(H,25,33)(H,26,27,28,29).
What are the key properties of [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate?
[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate has a molecular weight of 466.54 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl] N-(2H-tetrazol-5-ylmethyl)carbamate is sourced from PubChem (CID 59337203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).