N-(oxetan-3-yl)adamantane-2-carboxamide

C14H21NO2 — CID 81096479

IUPACN-(oxetan-3-yl)adamantane-2-carboxamide
SMILESO=C(NC1COC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H21NO2/c16-14(15-12-6-17-7-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13H,1-7H2,(H,15,16)
InChIKeyWTEUPBWIWFTXIS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds2

About N-(oxetan-3-yl)adamantane-2-carboxamide

N-(oxetan-3-yl)adamantane-2-carboxamide (PubChem CID 81096479) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(oxetan-3-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)adamantane-2-carboxamide
PubChem CID81096479
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(oxetan-3-yl)adamantane-2-carboxamide
SMILESO=C(NC1COC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H21NO2/c16-14(15-12-6-17-7-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13H,1-7H2,(H,15,16)
InChIKeyWTEUPBWIWFTXIS-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)adamantane-2-carboxamide
CID 78914074
N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide
CID 81099772
N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
CID 119477426
N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide
CID 81096242
N-(6-oxopiperidin-3-yl)adamantane-2-carboxamide
CID 78990985
3-methyl-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 164660348
N-(2-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807
N-(2-bromocyclopentyl)adamantane-2-carboxamide
CID 81095777
2-(adamantane-2-carbonylamino)propanoic acid
CID 81095759
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
1,2-bis(2-adamantyl)ethane-1,2-dione
CID 101080839
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide
CID 97080184

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)adamantane-2-carboxamide?
The IUPAC name of N-(oxetan-3-yl)adamantane-2-carboxamide (CID 81096479) is N-(oxetan-3-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(oxetan-3-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(oxetan-3-yl)adamantane-2-carboxamide is O=C(NC1COC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(oxetan-3-yl)adamantane-2-carboxamide?
The InChIKey is WTEUPBWIWFTXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(15-12-6-17-7-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13H,1-7H2,(H,15,16).
What are the key properties of N-(oxetan-3-yl)adamantane-2-carboxamide?
N-(oxetan-3-yl)adamantane-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)adamantane-2-carboxamide is sourced from PubChem (CID 81096479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).