N-(2-methoxyethoxy)adamantane-1-carboxamide

C14H23NO3 — CID 110642715

IUPACN-(2-methoxyethoxy)adamantane-1-carboxamide
SMILESCOCCONC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO3/c1-17-2-3-18-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyLXHLWQZFTVGOHN-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.90
Rot. Bonds5

About N-(2-methoxyethoxy)adamantane-1-carboxamide

N-(2-methoxyethoxy)adamantane-1-carboxamide (PubChem CID 110642715) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2-methoxyethoxy)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)adamantane-1-carboxamide
PubChem CID110642715
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(2-methoxyethoxy)adamantane-1-carboxamide
SMILESCOCCONC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO3/c1-17-2-3-18-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyLXHLWQZFTVGOHN-UHFFFAOYSA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
CID 10868753
1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 2941897
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55407932
1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one chloride
CID 21235387
methyl 2-(adamantane-1-carbonylamino)prop-2-enoate
CID 101073434
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
CID 108896040
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)adamantane-1-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)adamantane-1-carboxamide (CID 110642715) is N-(2-methoxyethoxy)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)adamantane-1-carboxamide is COCCONC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methoxyethoxy)adamantane-1-carboxamide?
The InChIKey is LXHLWQZFTVGOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-2-3-18-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethoxy)adamantane-1-carboxamide?
N-(2-methoxyethoxy)adamantane-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)adamantane-1-carboxamide is sourced from PubChem (CID 110642715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).