N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide

C30H24N2O5 — CID 4198226

IUPACN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C30H24N2O5/c1-2-27(37-22-13-7-4-8-14-22)28(33)31-20-10-9-15-23(18-20)36-24-16-17-25-26(19-24)30(35)32(29(25)34)21-11-5-3-6-12-21/h3-19,27H,2H2,1H3,(H,31,33)
InChIKeyFNFSMWHMWKQJMH-UHFFFAOYSA-N
MW492.53 g/mol
LogP6.08
Rot. Bonds8

About N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide (PubChem CID 4198226) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
PubChem CID4198226
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC NameN-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1
InChIInChI=1S/C30H24N2O5/c1-2-27(37-22-13-7-4-8-14-22)28(33)31-20-10-9-15-23(18-20)36-24-16-17-25-26(19-24)30(35)32(29(25)34)21-11-5-3-6-12-21/h3-19,27H,2H2,1H3,(H,31,33)
InChIKeyFNFSMWHMWKQJMH-UHFFFAOYSA-N
XLogP6.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
CID 1299134
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 3591945
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-phenoxybutanamide
CID 17362491
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide?
The IUPAC name of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide (CID 4198226) is N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide?
The canonical SMILES for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1.
What is the InChIKey of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide?
The InChIKey is FNFSMWHMWKQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-2-27(37-22-13-7-4-8-14-22)28(33)31-20-10-9-15-23(18-20)36-24-16-17-25-26(19-24)30(35)32(29(25)34)21-11-5-3-6-12-21/h3-19,27H,2H2,1H3,(H,31,33).
What are the key properties of N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide?
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide has a molecular weight of 492.53 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide is sourced from PubChem (CID 4198226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).