N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide

C30H38N2O3 — CID 3698247

IUPACN,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide
SMILESO=C1CC(C=Cc2ccco2)(C(=O)NC23CC4CC(CC(C4)C2)C3)N1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H38N2O3/c33-26-18-30(4-3-25-2-1-5-35-25,32(26)29-15-22-9-23(16-29)11-24(10-22)17-29)27(34)31-28-12-19-6-20(13-28)8-21(7-19)14-28/h1-5,19-24H,6-18H2,(H,31,34)
InChIKeyJCXJVWWQGULYHR-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.32
Rot. Bonds5

About N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide

N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide (PubChem CID 3698247) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide
PubChem CID3698247
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC NameN,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide
SMILESO=C1CC(C=Cc2ccco2)(C(=O)NC23CC4CC(CC(C4)C2)C3)N1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H38N2O3/c33-26-18-30(4-3-25-2-1-5-35-25,32(26)29-15-22-9-23(16-29)11-24(10-22)17-29)27(34)31-28-12-19-6-20(13-28)8-21(7-19)14-28/h1-5,19-24H,6-18H2,(H,31,34)
InChIKeyJCXJVWWQGULYHR-UHFFFAOYSA-N
XLogP5.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(1-adamantyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3796549
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852289
2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 3771667
2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 129439178
(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921396
N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 7072055
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 4258491
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24539621
2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one
CID 10531202
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8921741
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680

Frequently Asked Questions

What is the IUPAC name of N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide?
The IUPAC name of N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide (CID 3698247) is N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide is O=C1CC(C=Cc2ccco2)(C(=O)NC23CC4CC(CC(C4)C2)C3)N1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide?
The InChIKey is JCXJVWWQGULYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c33-26-18-30(4-3-25-2-1-5-35-25,32(26)29-15-22-9-23(16-29)11-24(10-22)17-29)27(34)31-28-12-19-6-20(13-28)8-21(7-19)14-28/h1-5,19-24H,6-18H2,(H,31,34).
What are the key properties of N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide?
N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3698247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).