N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide

C15H25NO2 — CID 10868753

IUPACN-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-14(2,3)18-16-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyWRLIUHHRJUIBIF-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.05
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide

N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide (PubChem CID 10868753) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
PubChem CID10868753
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-14(2,3)18-16-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyWRLIUHHRJUIBIF-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715
N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
CID 114307951
2-tert-butylsulfanylethyl 3-(adamantane-1-carbonylamino)propanoate
CID 86944040
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
methyl 2-(adamantane-1-carbonylamino)prop-2-enoate
CID 101073434
1-methyl-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82723804
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 75361888
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 3344892
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide (CID 10868753) is N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide is CC(C)(C)ONC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide?
The InChIKey is WRLIUHHRJUIBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,3)18-16-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide?
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide is sourced from PubChem (CID 10868753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).