2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide

C19H33NO3 — CID 171735464

IUPAC2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide
SMILESCC(C)OCCOCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO3/c1-14(2)23-6-5-22-4-3-20-18(21)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3,(H,20,21)
InChIKeyCGVURCXMNUKVCU-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.15
Rot. Bonds9

About 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide

2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide (PubChem CID 171735464) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide
PubChem CID171735464
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide
SMILESCC(C)OCCOCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO3/c1-14(2)23-6-5-22-4-3-20-18(21)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3,(H,20,21)
InChIKeyCGVURCXMNUKVCU-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide (CID 171735464) is 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide is CC(C)OCCOCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide?
The InChIKey is CGVURCXMNUKVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-14(2)23-6-5-22-4-3-20-18(21)13-19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide?
2-(1-adamantyl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]acetamide has a molecular weight of 323.48 g/mol, XLogP of 3.15, 9 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-(2-propan-2-yloxyethoxy)ethyl]acetamide is sourced from PubChem (CID 171735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).