N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C24H30N2O3 — CID 4810854

IUPACN-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H30N2O3/c1-15(24-12-16-9-17(13-24)11-18(10-16)14-24)25-21(27)7-4-8-26-22(28)19-5-2-3-6-20(19)23(26)29/h2-3,5-6,15-18H,4,7-14H2,1H3,(H,25,27)
InChIKeyOILQIQSOOMCOJQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.78
Rot. Bonds6

About N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 4810854) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID4810854
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H30N2O3/c1-15(24-12-16-9-17(13-24)11-18(10-16)14-24)25-21(27)7-4-8-26-22(28)19-5-2-3-6-20(19)23(26)29/h2-3,5-6,15-18H,4,7-14H2,1H3,(H,25,27)
InChIKeyOILQIQSOOMCOJQ-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 92679023
N-(1-adamantyl)-7-(1,3-dioxoisoindol-2-yl)heptanamide
CID 3848841
N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7689141
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 42883537
N-[(1S)-1-(1-adamantyl)ethyl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 93052161
N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 46282334
N-[1-(1-adamantyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2922015
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
N-[(1S)-1-(1-adamantyl)ethyl]-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 92678971
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 4810854) is N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is CC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is OILQIQSOOMCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-15(24-12-16-9-17(13-24)11-18(10-16)14-24)25-21(27)7-4-8-26-22(28)19-5-2-3-6-20(19)23(26)29/h2-3,5-6,15-18H,4,7-14H2,1H3,(H,25,27).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 394.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 4810854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).