N-(methoxymethyl)adamantane-1-carboxamide

C13H21NO2 — CID 22251555

IUPACN-(methoxymethyl)adamantane-1-carboxamide
SMILESCOCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-16-8-14-12(15)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyYPMAPMRUJXSSOV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.92
Rot. Bonds3

About N-(methoxymethyl)adamantane-1-carboxamide

N-(methoxymethyl)adamantane-1-carboxamide (PubChem CID 22251555) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(methoxymethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)adamantane-1-carboxamide
PubChem CID22251555
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(methoxymethyl)adamantane-1-carboxamide
SMILESCOCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-16-8-14-12(15)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyYPMAPMRUJXSSOV-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)adamantane-1-carboxamide?
The IUPAC name of N-(methoxymethyl)adamantane-1-carboxamide (CID 22251555) is N-(methoxymethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(methoxymethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(methoxymethyl)adamantane-1-carboxamide is COCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(methoxymethyl)adamantane-1-carboxamide?
The InChIKey is YPMAPMRUJXSSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-8-14-12(15)13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(methoxymethyl)adamantane-1-carboxamide?
N-(methoxymethyl)adamantane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)adamantane-1-carboxamide is sourced from PubChem (CID 22251555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).