N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide

C16H27NO2 — CID 90624051

IUPACN-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO2/c1-10(2)15(18)17-9-16(19-3)13-5-11-4-12(7-13)8-14(16)6-11/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyWYEBMIAFWCCNSB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.60
Rot. Bonds4

About N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide

N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide (PubChem CID 90624051) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide
PubChem CID90624051
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO2/c1-10(2)15(18)17-9-16(19-3)13-5-11-4-12(7-13)8-14(16)6-11/h10-14H,4-9H2,1-3H3,(H,17,18)
InChIKeyWYEBMIAFWCCNSB-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide (CID 90624051) is N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide is COC1(CNC(=O)C(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide?
The InChIKey is WYEBMIAFWCCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10(2)15(18)17-9-16(19-3)13-5-11-4-12(7-13)8-14(16)6-11/h10-14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide?
N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 90624051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).