(4-methoxy-1-adamantyl) carbamate

C12H19NO3 — CID 69154612

IUPAC(4-methoxy-1-adamantyl) carbamate
SMILESCOC1C2CC3CC1CC(OC(N)=O)(C3)C2
InChIInChI=1S/C12H19NO3/c1-15-10-8-2-7-3-9(10)6-12(4-7,5-8)16-11(13)14/h7-10H,2-6H2,1H3,(H2,13,14)
InChIKeyOCAQCHSPIXVMRD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.68
Rot. Bonds2

About (4-methoxy-1-adamantyl) carbamate

(4-methoxy-1-adamantyl) carbamate (PubChem CID 69154612) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (4-methoxy-1-adamantyl) carbamate.

Molecular Properties

Compound Name(4-methoxy-1-adamantyl) carbamate
PubChem CID69154612
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(4-methoxy-1-adamantyl) carbamate
SMILESCOC1C2CC3CC1CC(OC(N)=O)(C3)C2
InChIInChI=1S/C12H19NO3/c1-15-10-8-2-7-3-9(10)6-12(4-7,5-8)16-11(13)14/h7-10H,2-6H2,1H3,(H2,13,14)
InChIKeyOCAQCHSPIXVMRD-UHFFFAOYSA-N
XLogP1.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-adamantyl) carbamate?
The IUPAC name of (4-methoxy-1-adamantyl) carbamate (CID 69154612) is (4-methoxy-1-adamantyl) carbamate.
What is the SMILES notation for (4-methoxy-1-adamantyl) carbamate?
The canonical SMILES for (4-methoxy-1-adamantyl) carbamate is COC1C2CC3CC1CC(OC(N)=O)(C3)C2.
What is the InChIKey of (4-methoxy-1-adamantyl) carbamate?
The InChIKey is OCAQCHSPIXVMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-10-8-2-7-3-9(10)6-12(4-7,5-8)16-11(13)14/h7-10H,2-6H2,1H3,(H2,13,14).
What are the key properties of (4-methoxy-1-adamantyl) carbamate?
(4-methoxy-1-adamantyl) carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-adamantyl) carbamate is sourced from PubChem (CID 69154612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).