N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide

C22H30N2O2 — CID 130269312

IUPACN-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NCC4(O)CNC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O2/c1-19-7-16-8-20(10-19,17-5-3-2-4-6-17)12-21(9-16,11-19)18(25)24-15-22(26)13-23-14-22/h2-6,16,23,26H,7-15H2,1H3,(H,24,25)
InChIKeyFHCAJVWXWJFGNY-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.37
Rot. Bonds4

About N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide

N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide (PubChem CID 130269312) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
PubChem CID130269312
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NCC4(O)CNC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H30N2O2/c1-19-7-16-8-20(10-19,17-5-3-2-4-6-17)12-21(9-16,11-19)18(25)24-15-22(26)13-23-14-22/h2-6,16,23,26H,7-15H2,1H3,(H,24,25)
InChIKeyFHCAJVWXWJFGNY-UHFFFAOYSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide (CID 130269312) is N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide is CC12CC3CC(C(=O)NCC4(O)CNC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide?
The InChIKey is FHCAJVWXWJFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-19-7-16-8-20(10-19,17-5-3-2-4-6-17)12-21(9-16,11-19)18(25)24-15-22(26)13-23-14-22/h2-6,16,23,26H,7-15H2,1H3,(H,24,25).
What are the key properties of N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide?
N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 130269312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).