3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide

C19H26N2O3 — CID 8712890

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide
SMILESCCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O3/c1-3-5-8-14(4-2)13-20-17(22)11-12-21-18(23)15-9-6-7-10-16(15)19(21)24/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyNYRGJGWVEFXKGI-AWEZNQCLSA-N
MW330.43 g/mol
LogP3.01
Rot. Bonds9

About 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide (PubChem CID 8712890) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide
PubChem CID8712890
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide
SMILESCCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O3/c1-3-5-8-14(4-2)13-20-17(22)11-12-21-18(23)15-9-6-7-10-16(15)19(21)24/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyNYRGJGWVEFXKGI-AWEZNQCLSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 19170067
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252720
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-ethylsulfonylbutanoic acid
CID 108755168
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55358602
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8504380
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 112503950

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide (CID 8712890) is 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide is CCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide?
The InChIKey is NYRGJGWVEFXKGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-5-8-14(4-2)13-20-17(22)11-12-21-18(23)15-9-6-7-10-16(15)19(21)24/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide has a molecular weight of 330.43 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide is sourced from PubChem (CID 8712890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).