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

C16H25NO2 — CID 72719692

IUPACN-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide
SMILESCOC1(CNC(=O)C2CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO2/c1-19-16(9-17-15(18)12-2-3-12)13-5-10-4-11(7-13)8-14(16)6-10/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyUJBMWNVFRDTMAP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds4

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

N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide (PubChem CID 72719692) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide
PubChem CID72719692
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide
SMILESCOC1(CNC(=O)C2CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO2/c1-19-16(9-17-15(18)12-2-3-12)13-5-10-4-11(7-13)8-14(16)6-10/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyUJBMWNVFRDTMAP-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
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]cyclopropanecarboxamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide (CID 72719692) is N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide is COC1(CNC(=O)C2CC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide?
The InChIKey is UJBMWNVFRDTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-16(9-17-15(18)12-2-3-12)13-5-10-4-11(7-13)8-14(16)6-10/h10-14H,2-9H2,1H3,(H,17,18).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide?
N-[(2-methoxy-2-adamantyl)methyl]cyclopropanecarboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.35, 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]cyclopropanecarboxamide is sourced from PubChem (CID 72719692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).