2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C18H25NO2 — CID 131949848

IUPAC2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C18H25NO2/c1-12-2-3-16(21-12)11-19-17(20)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,13-15H,4-11H2,1H3,(H,19,20)
InChIKeyVVTOXPREZLBDBW-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.81
Rot. Bonds4

About 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 131949848) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID131949848
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C18H25NO2/c1-12-2-3-16(21-12)11-19-17(20)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,13-15H,4-11H2,1H3,(H,19,20)
InChIKeyVVTOXPREZLBDBW-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
N-(2-adamantyl)-5-bromofuran-2-carboxamide
CID 798489
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
5-(1-adamantyl)-N-ethylfuran-2-carboxamide
CID 2974800
N-(cyclohexylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048323
Adamantane-1-carboxylic acid furan-2-ylmethyl-methyl-amide
CID 47006636
N-(adamantan-1-yl)furan-2-carboxamide
CID 2837033
N-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 4690796
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 131949848) is 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is VVTOXPREZLBDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-2-3-16(21-12)11-19-17(20)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,13-15H,4-11H2,1H3,(H,19,20).
What are the key properties of 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 287.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 131949848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).