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

C15H25NO3 — CID 90624052

IUPACethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate
SMILESCCOC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H25NO3/c1-3-19-14(17)16-9-15(18-2)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyKNTFEJBEARDJOZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds4

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

ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate (PubChem CID 90624052) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate
PubChem CID90624052
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate
SMILESCCOC(=O)NCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H25NO3/c1-3-19-14(17)16-9-15(18-2)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyKNTFEJBEARDJOZ-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
The IUPAC name of ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate (CID 90624052) is ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate is CCOC(=O)NCC1(OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
The InChIKey is KNTFEJBEARDJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-19-14(17)16-9-15(18-2)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate?
ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-methoxy-2-adamantyl)methyl]carbamate is sourced from PubChem (CID 90624052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).