11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide

C27H34N2O4 — CID 3362630

IUPAC11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
SMILESCCOc1ccccc1NC(=O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H34N2O4/c1-2-33-24-18-13-12-17-23(24)28-25(30)19-9-7-5-3-4-6-8-14-20-29-26(31)21-15-10-11-16-22(21)27(29)32/h10-13,15-18H,2-9,14,19-20H2,1H3,(H,28,30)
InChIKeyUBQMUMXBEFTSEE-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.83
Rot. Bonds14

About 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide

11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide (PubChem CID 3362630) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide.

Molecular Properties

Compound Name11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
PubChem CID3362630
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
SMILESCCOc1ccccc1NC(=O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H34N2O4/c1-2-33-24-18-13-12-17-23(24)28-25(30)19-9-7-5-3-4-6-8-14-20-29-26(31)21-15-10-11-16-22(21)27(29)32/h10-13,15-18H,2-9,14,19-20H2,1H3,(H,28,30)
InChIKeyUBQMUMXBEFTSEE-UHFFFAOYSA-N
XLogP5.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide
CID 58919564
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
N-(2-ethoxyphenyl)octanamide
CID 4158866
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
CID 4090192
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317

Frequently Asked Questions

What is the IUPAC name of 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide?
The IUPAC name of 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide (CID 3362630) is 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide.
What is the SMILES notation for 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide?
The canonical SMILES for 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide is CCOc1ccccc1NC(=O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide?
The InChIKey is UBQMUMXBEFTSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-2-33-24-18-13-12-17-23(24)28-25(30)19-9-7-5-3-4-6-8-14-20-29-26(31)21-15-10-11-16-22(21)27(29)32/h10-13,15-18H,2-9,14,19-20H2,1H3,(H,28,30).
What are the key properties of 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide?
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide has a molecular weight of 450.58 g/mol, XLogP of 5.83, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide is sourced from PubChem (CID 3362630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).