N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide

C23H32N2O2 — CID 16892411

IUPACN-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O2/c26-22(23-13-17-10-18(14-23)12-19(11-17)15-23)24-6-7-25-8-9-27-21(16-25)20-4-2-1-3-5-20/h1-5,17-19,21H,6-16H2,(H,24,26)
InChIKeyNGSMYJQZSLSJQY-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide

N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide (PubChem CID 16892411) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide
PubChem CID16892411
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O2/c26-22(23-13-17-10-18(14-23)12-19(11-17)15-23)24-6-7-25-8-9-27-21(16-25)20-4-2-1-3-5-20/h1-5,17-19,21H,6-16H2,(H,24,26)
InChIKeyNGSMYJQZSLSJQY-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide (CID 16892411) is N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide is O=C(NCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is NGSMYJQZSLSJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-22(23-13-17-10-18(14-23)12-19(11-17)15-23)24-6-7-25-8-9-27-21(16-25)20-4-2-1-3-5-20/h1-5,17-19,21H,6-16H2,(H,24,26).
What are the key properties of N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide?
N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 16892411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).