(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide

C23H26N2O3 — CID 164676175

IUPAC(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide
SMILESC[C@H](CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
InChIInChI=1S/C23H26N2O3/c1-17(21(26)24-18-12-6-4-7-13-18)11-5-2-3-10-16-25-22(27)19-14-8-9-15-20(19)23(25)28/h4,6-9,12-15,17H,2-3,5,10-11,16H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeySMQZXLYWHICXOT-QGZVFWFLSA-N
MW378.47 g/mol
LogP4.51
Rot. Bonds9

About (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide

(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide (PubChem CID 164676175) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide.

Molecular Properties

Compound Name(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide
PubChem CID164676175
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide
SMILESC[C@H](CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
InChIInChI=1S/C23H26N2O3/c1-17(21(26)24-18-12-6-4-7-13-18)11-5-2-3-10-16-25-22(27)19-14-8-9-15-20(19)23(25)28/h4,6-9,12-15,17H,2-3,5,10-11,16H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeySMQZXLYWHICXOT-QGZVFWFLSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
2-methyl-N-phenylpentanamide
CID 4627801
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
ethyl 7-(1,3-dioxoisoindol-2-yl)-2-(4-methylanilino)heptanoate
CID 175174475
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234
5-[[(2S)-6-(1,3-dioxoisoindol-2-yl)-2-[(2-iodoacetyl)amino]hexanoyl]amino]pentanoic acid
CID 90680384
2-(5-bromo-6-oxoheptyl)isoindole-1,3-dione
CID 89147876

Frequently Asked Questions

What is the IUPAC name of (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide?
The IUPAC name of (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide (CID 164676175) is (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide.
What is the SMILES notation for (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide?
The canonical SMILES for (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide is C[C@H](CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide?
The InChIKey is SMQZXLYWHICXOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17(21(26)24-18-12-6-4-7-13-18)11-5-2-3-10-16-25-22(27)19-14-8-9-15-20(19)23(25)28/h4,6-9,12-15,17H,2-3,5,10-11,16H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide?
(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide has a molecular weight of 378.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide is sourced from PubChem (CID 164676175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).