4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide

C21H22N2O4 — CID 8503422

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O4/c1-2-14-27-18-11-6-5-10-17(18)22-19(24)12-7-13-23-20(25)15-8-3-4-9-16(15)21(23)26/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)
InChIKeyCSFPPMLFQJRBSY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.49
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide (PubChem CID 8503422) 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-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
PubChem CID8503422
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O4/c1-2-14-27-18-11-6-5-10-17(18)22-19(24)12-7-13-23-20(25)15-8-3-4-9-16(15)21(23)26/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)
InChIKeyCSFPPMLFQJRBSY-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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

11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-N-(2-ethoxyphenyl)benzamide
CID 58919564
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
CID 16597390
N-(2-butoxyphenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55906918
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide (CID 8503422) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide is CCCOc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide?
The InChIKey is CSFPPMLFQJRBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-14-27-18-11-6-5-10-17(18)22-19(24)12-7-13-23-20(25)15-8-3-4-9-16(15)21(23)26/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide has a molecular weight of 366.42 g/mol, XLogP of 3.49, 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-propoxyphenyl)butanamide is sourced from PubChem (CID 8503422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).