2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide

C15H25NO3 — CID 79673564

IUPAC2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO3/c1-18-2-3-19-16-14(17)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyODDBCRDTAFPKJV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds6

About 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide

2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide (PubChem CID 79673564) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
PubChem CID79673564
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO3/c1-18-2-3-19-16-14(17)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyODDBCRDTAFPKJV-UHFFFAOYSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.29
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)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate
CID 72712354
N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715
methyl 2-[[2-(1-adamantyl)acetyl]amino]prop-2-enoate
CID 101073433
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(1-adamantyl)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 46984957
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
CID 166540472
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120
ethyl N-acetyl-2-(1-adamantyl)ethanimidate
CID 15506713
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide (CID 79673564) is 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide is COCCONC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide?
The InChIKey is ODDBCRDTAFPKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-18-2-3-19-16-14(17)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide?
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide has a molecular weight of 267.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79673564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).