4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide

C21H22N2O4 — CID 1293729

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-27-16-10-8-15(9-11-16)12-13-22-19(24)7-4-14-23-20(25)17-5-2-3-6-18(17)21(23)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,24)
InChIKeyXACGYGLIPYTZCR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.43
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 1293729) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID1293729
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-27-16-10-8-15(9-11-16)12-13-22-19(24)7-4-14-23-20(25)17-5-2-3-6-18(17)21(23)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,24)
InChIKeyXACGYGLIPYTZCR-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybenzyl)phthalimide
CID 519849
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-(4-methoxyphenethyl)benzamide
CID 3083797
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
3-((1,3-Dioxoisoindolin-2-yl)methyl)-4-methoxybenzaldehyde
CID 818605
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CID 2766023

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide (CID 1293729) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide is COc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is XACGYGLIPYTZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-27-16-10-8-15(9-11-16)12-13-22-19(24)7-4-14-23-20(25)17-5-2-3-6-18(17)21(23)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,24).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 366.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 1293729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).