3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide

C18H29NO2 — CID 6468300

IUPAC3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCC1CCCO1)(C3)C2
InChIInChI=1S/C18H29NO2/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)15(20)19-9-14-4-3-5-21-14/h13-14H,3-12H2,1-2H3,(H,19,20)
InChIKeyXZJJMKKHHBGVJA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.28
Rot. Bonds3

About 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide

3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 6468300) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide
PubChem CID6468300
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCC1CCCO1)(C3)C2
InChIInChI=1S/C18H29NO2/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)15(20)19-9-14-4-3-5-21-14/h13-14H,3-12H2,1-2H3,(H,19,20)
InChIKeyXZJJMKKHHBGVJA-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide (CID 6468300) is 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NCC1CCCO1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is XZJJMKKHHBGVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)15(20)19-9-14-4-3-5-21-14/h13-14H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide?
3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 6468300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).