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

C17H27NO2 — CID 72719693

IUPACN-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO2/c1-20-17(10-18-16(19)13-3-2-4-13)14-6-11-5-12(8-14)9-15(17)7-11/h11-15H,2-10H2,1H3,(H,18,19)
InChIKeyUSWLUHNZRLVSLS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.74
Rot. Bonds4

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

N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide (PubChem CID 72719693) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide
PubChem CID72719693
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO2/c1-20-17(10-18-16(19)13-3-2-4-13)14-6-11-5-12(8-14)9-15(17)7-11/h11-15H,2-10H2,1H3,(H,18,19)
InChIKeyUSWLUHNZRLVSLS-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.74
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]cyclobutanecarboxamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide (CID 72719693) is N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide is COC1(CNC(=O)C2CCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide?
The InChIKey is USWLUHNZRLVSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-20-17(10-18-16(19)13-3-2-4-13)14-6-11-5-12(8-14)9-15(17)7-11/h11-15H,2-10H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide?
N-[(2-methoxy-2-adamantyl)methyl]cyclobutanecarboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.74, 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]cyclobutanecarboxamide is sourced from PubChem (CID 72719693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).