2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide

C20H25NO3 — CID 59322092

IUPAC2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H25NO3/c21-19(23)8-13-1-3-17(4-2-13)24-12-18(22)20-9-14-5-15(10-20)7-16(6-14)11-20/h1-4,14-16H,5-12H2,(H2,21,23)
InChIKeyGIDUZLVDFRCXAG-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.88
Rot. Bonds6

About 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide

2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 59322092) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide
PubChem CID59322092
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H25NO3/c21-19(23)8-13-1-3-17(4-2-13)24-12-18(22)20-9-14-5-15(10-20)7-16(6-14)11-20/h1-4,14-16H,5-12H2,(H2,21,23)
InChIKeyGIDUZLVDFRCXAG-UHFFFAOYSA-N
XLogP2.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]-N,N-dimethylacetamide
CID 59322105
1-(1-adamantyl)-2-(4-methoxyphenoxy)ethanone
CID 102403256
1-(1-adamantyl)-2-(4-benzoylphenoxy)ethanone
CID 3947645
4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide
CID 59322099
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
[2-(1-adamantyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853657
[2-(1-adamantyl)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486036
[2-(1-adamantyl)-2-oxoethyl] 4-aminobenzoate
CID 122386765
[2-(1-adamantyl)-2-oxoethyl] 4-(methylsulfanylmethyl)benzoate
CID 7752751
[2-(1-adamantyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4651860
2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide
CID 20617578
2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 38113386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide (CID 59322092) is 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide is NC(=O)Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is GIDUZLVDFRCXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c21-19(23)8-13-1-3-17(4-2-13)24-12-18(22)20-9-14-5-15(10-20)7-16(6-14)11-20/h1-4,14-16H,5-12H2,(H2,21,23).
What are the key properties of 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 59322092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).