6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid

C24H23N3O7 — CID 90278435

IUPAC6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid
SMILESCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCCCNC(=O)O)C4=O)cc2C1=O
InChIInChI=1S/C24H23N3O7/c1-26-20(28)16-8-6-14(12-18(16)21(26)29)34-15-7-9-17-19(13-15)23(31)27(22(17)30)11-5-3-2-4-10-25-24(32)33/h6-9,12-13,25H,2-5,10-11H2,1H3,(H,32,33)
InChIKeyUQNVCGWZJDQJBO-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.13
Rot. Bonds9

About 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid

6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid (PubChem CID 90278435) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid.

Molecular Properties

Compound Name6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid
PubChem CID90278435
Molecular FormulaC24H23N3O7
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid
SMILESCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCCCNC(=O)O)C4=O)cc2C1=O
InChIInChI=1S/C24H23N3O7/c1-26-20(28)16-8-6-14(12-18(16)21(26)29)34-15-7-9-17-19(13-15)23(31)27(22(17)30)11-5-3-2-4-10-25-24(32)33/h6-9,12-13,25H,2-5,10-11H2,1H3,(H,32,33)
InChIKeyUQNVCGWZJDQJBO-UHFFFAOYSA-N
XLogP3.13
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
CID 5210469
2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 2232828
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
5-[4-[2-[4-[2-[8-(3-hexyl-2,6-dioctylcyclohexyl)octyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
CID 164805823
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
5-[2-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
CID 58692154
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propyl acetate
CID 2264146
methyl 6-[5-[2-(6-methoxy-6-oxohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]hexanoate
CID 101160848

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid?
The IUPAC name of 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid (CID 90278435) is 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid.
What is the SMILES notation for 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid?
The canonical SMILES for 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid is CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCCCNC(=O)O)C4=O)cc2C1=O.
What is the InChIKey of 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid?
The InChIKey is UQNVCGWZJDQJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7/c1-26-20(28)16-8-6-14(12-18(16)21(26)29)34-15-7-9-17-19(13-15)23(31)27(22(17)30)11-5-3-2-4-10-25-24(32)33/h6-9,12-13,25H,2-5,10-11H2,1H3,(H,32,33).
What are the key properties of 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid?
6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid has a molecular weight of 465.46 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid is sourced from PubChem (CID 90278435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).