4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide

C20H25NO3 — CID 59322099

IUPAC4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COCC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H25NO3/c21-19(23)17-3-1-13(2-4-17)11-24-12-18(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-12H2,(H2,21,23)
InChIKeyCCMVUTKEJOQTCR-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.09
Rot. Bonds6

About 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide

4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide (PubChem CID 59322099) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide
PubChem CID59322099
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide
SMILESNC(=O)c1ccc(COCC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H25NO3/c21-19(23)17-3-1-13(2-4-17)11-24-12-18(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-12H2,(H2,21,23)
InChIKeyCCMVUTKEJOQTCR-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide 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-(1-adamantyl)-2-oxoethyl] 4-aminobenzoate
CID 122386765
[2-(1-adamantyl)-2-oxoethyl] 4-(methylsulfanylmethyl)benzoate
CID 7752751
2-[4-[2-(1-adamantyl)-2-oxoethoxy]phenyl]acetamide
CID 59322092
[2-(1-adamantyl)-2-oxoethyl] 3,4-dimethylbenzoate
CID 7793884
adamantane-1-carboxylic acid;benzamide
CID 175381809
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
[2-(1-adamantyl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 3345275
[2-(1-adamantyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 7718124
[2-(1-adamantyl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7764773
[2-(1-adamantyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500731
1-(1-adamantyl)-2-(4-benzoylphenoxy)ethanone
CID 3947645
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide?
The IUPAC name of 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide (CID 59322099) is 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide.
What is the SMILES notation for 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide?
The canonical SMILES for 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide is NC(=O)c1ccc(COCC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide?
The InChIKey is CCMVUTKEJOQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c21-19(23)17-3-1-13(2-4-17)11-24-12-18(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-12H2,(H2,21,23).
What are the key properties of 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide?
4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide is sourced from PubChem (CID 59322099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).