2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide

C25H27NO3 — CID 5144773

IUPAC2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CC13CC4CC(CC(C4)C1)C3)oc1ccccc12
InChIInChI=1S/C25H27NO3/c1-28-23-9-19-18-4-2-3-5-21(18)29-22(19)10-20(23)26-24(27)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H,26,27)
InChIKeyUPLNOPAFFLZHHB-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.14
Rot. Bonds4

About 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide

2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 5144773) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID5144773
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CC13CC4CC(CC(C4)C1)C3)oc1ccccc12
InChIInChI=1S/C25H27NO3/c1-28-23-9-19-18-4-2-3-5-21(18)29-22(19)10-20(23)26-24(27)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H,26,27)
InChIKeyUPLNOPAFFLZHHB-UHFFFAOYSA-N
XLogP6.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide
CID 7962448
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 9098188
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 5144773) is 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CC13CC4CC(CC(C4)C1)C3)oc1ccccc12.
What is the InChIKey of 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is UPLNOPAFFLZHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-28-23-9-19-18-4-2-3-5-21(18)29-22(19)10-20(23)26-24(27)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H,26,27).
What are the key properties of 2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 389.50 g/mol, XLogP of 6.14, 4 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-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 5144773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).