3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide

C20H34N2O2 — CID 6469146

IUPAC3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCCCN1CCOCC1)(C3)C2
InChIInChI=1S/C20H34N2O2/c1-18-10-16-11-19(2,13-18)15-20(12-16,14-18)17(23)21-4-3-5-22-6-8-24-9-7-22/h16H,3-15H2,1-2H3,(H,21,23)
InChIKeyRHUYDJJQIRXAQC-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.82
Rot. Bonds5

About 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide

3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide (PubChem CID 6469146) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
PubChem CID6469146
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCCCN1CCOCC1)(C3)C2
InChIInChI=1S/C20H34N2O2/c1-18-10-16-11-19(2,13-18)15-20(12-16,14-18)17(23)21-4-3-5-22-6-8-24-9-7-22/h16H,3-15H2,1-2H3,(H,21,23)
InChIKeyRHUYDJJQIRXAQC-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.82
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 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide (CID 6469146) is 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NCCCN1CCOCC1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
The InChIKey is RHUYDJJQIRXAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-18-10-16-11-19(2,13-18)15-20(12-16,14-18)17(23)21-4-3-5-22-6-8-24-9-7-22/h16H,3-15H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide?
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 6469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).