N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide

C25H31NO3 — CID 18275406

IUPACN-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C25H31NO3/c1-17-5-3-7-23(18(17)2)29-16-24(27)26(15-22-6-4-8-28-22)25-12-19-9-20(13-25)11-21(10-19)14-25/h3-8,19-21H,9-16H2,1-2H3
InChIKeyVYVGAVCXIJKOBO-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.27
Rot. Bonds6

About N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide

N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 18275406) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID18275406
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC NameN-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C25H31NO3/c1-17-5-3-7-23(18(17)2)29-16-24(27)26(15-22-6-4-8-28-22)25-12-19-9-20(13-25)11-21(10-19)14-25/h3-8,19-21H,9-16H2,1-2H3
InChIKeyVYVGAVCXIJKOBO-UHFFFAOYSA-N
XLogP5.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985871
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549131
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018181
N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7704846
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600763
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(2,3-dimethylphenoxy)-N-methylacetamide
CID 134707544
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43527060

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 18275406) is N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide is Cc1cccc(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VYVGAVCXIJKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-17-5-3-7-23(18(17)2)29-16-24(27)26(15-22-6-4-8-28-22)25-12-19-9-20(13-25)11-21(10-19)14-25/h3-8,19-21H,9-16H2,1-2H3.
What are the key properties of N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18275406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).