3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C24H27N3O4 — CID 55329042

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-31-18-10-8-17(9-11-18)21(26-13-4-5-14-26)16-25-22(28)12-15-27-23(29)19-6-2-3-7-20(19)24(27)30/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,25,28)
InChIKeyPVMGIFQZFKMSRY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.63
Rot. Bonds8

About 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 55329042) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID55329042
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-31-18-10-8-17(9-11-18)21(26-13-4-5-14-26)16-25-22(28)12-15-27-23(29)19-6-2-3-7-20(19)24(27)30/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,25,28)
InChIKeyPVMGIFQZFKMSRY-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9268625
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 19114566
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 55329042) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is PVMGIFQZFKMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-31-18-10-8-17(9-11-18)21(26-13-4-5-14-26)16-25-22(28)12-15-27-23(29)19-6-2-3-7-20(19)24(27)30/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,25,28).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 55329042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).