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

C14H23NO3 — CID 72719691

IUPACmethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate
SMILESCOC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO3/c1-17-13(16)15-8-14(18-2)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyGXPTZJLYCDZQMW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds3

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

methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate (PubChem CID 72719691) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate
PubChem CID72719691
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate
SMILESCOC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO3/c1-17-13(16)15-8-14(18-2)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyGXPTZJLYCDZQMW-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate (CID 72719691) is methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate is COC(=O)NCC1(OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
The InChIKey is GXPTZJLYCDZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-13(16)15-8-14(18-2)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methoxy-2-adamantyl)methyl]carbamate is sourced from PubChem (CID 72719691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).