N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C21H28N4O5 — CID 143512816

IUPACN-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCCCCCNC(=O)CC1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C21H28N4O5/c1-3-4-5-6-9-22-17(26)11-21(19(28)23-20(29)24-21)13-25-12-14-7-8-15(30-2)10-16(14)18(25)27/h7-8,10H,3-6,9,11-13H2,1-2H3,(H,22,26)(H2,23,24,28,29)
InChIKeyRUYPVNPAMNPRQY-UHFFFAOYSA-N
MW416.48 g/mol
LogP1.32
Rot. Bonds10

About N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 143512816) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID143512816
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCCCCCNC(=O)CC1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C21H28N4O5/c1-3-4-5-6-9-22-17(26)11-21(19(28)23-20(29)24-21)13-25-12-14-7-8-15(30-2)10-16(14)18(25)27/h7-8,10H,3-6,9,11-13H2,1-2H3,(H,22,26)(H2,23,24,28,29)
InChIKeyRUYPVNPAMNPRQY-UHFFFAOYSA-N
XLogP1.32
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-pentylacetamide
CID 126748370
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
5-[[4-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]methyl]-5-pentylimidazolidine-2,4-dione
CID 91395948
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 59216674
3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide
CID 91056778
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
(3Z,5E)-5-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-2-methylidenehepta-3,5-dienoic acid
CID 126748391
N-ethyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide
CID 46199352
N-ethyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide
CID 75171694
5-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylpyridine-2-carboxamide
CID 76573663
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 143512816) is N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CCCCCCNC(=O)CC1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.
What is the InChIKey of N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is RUYPVNPAMNPRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-3-4-5-6-9-22-17(26)11-21(19(28)23-20(29)24-21)13-25-12-14-7-8-15(30-2)10-16(14)18(25)27/h7-8,10H,3-6,9,11-13H2,1-2H3,(H,22,26)(H2,23,24,28,29).
What are the key properties of N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 143512816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).