N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide

C24H34N2O2 — CID 16892506

IUPACN-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c27-23(24-14-18-11-19(15-24)13-20(12-18)16-24)25-7-4-8-26-9-10-28-22(17-26)21-5-2-1-3-6-21/h1-3,5-6,18-20,22H,4,7-17H2,(H,25,27)
InChIKeyCFRYKCIYIFSPJA-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.78
Rot. Bonds6

About N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide

N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide (PubChem CID 16892506) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide
PubChem CID16892506
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c27-23(24-14-18-11-19(15-24)13-20(12-18)16-24)25-7-4-8-26-9-10-28-22(17-26)21-5-2-1-3-6-21/h1-3,5-6,18-20,22H,4,7-17H2,(H,25,27)
InChIKeyCFRYKCIYIFSPJA-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide (CID 16892506) is N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide is O=C(NCCCN1CCOC(c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide?
The InChIKey is CFRYKCIYIFSPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c27-23(24-14-18-11-19(15-24)13-20(12-18)16-24)25-7-4-8-26-9-10-28-22(17-26)21-5-2-1-3-6-21/h1-3,5-6,18-20,22H,4,7-17H2,(H,25,27).
What are the key properties of N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide?
N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 16892506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).