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

C18H19N3O3 — CID 110789384

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1cc[nH]c1
InChIInChI=1S/C18H19N3O3/c22-16(20-10-8-13-7-9-19-12-13)6-3-11-21-17(23)14-4-1-2-5-15(14)18(21)24/h1-2,4-5,7,9,12,19H,3,6,8,10-11H2,(H,20,22)
InChIKeyYEQQAKOPHBZJCO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.75
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (PubChem CID 110789384) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
PubChem CID110789384
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1cc[nH]c1
InChIInChI=1S/C18H19N3O3/c22-16(20-10-8-13-7-9-19-12-13)6-3-11-21-17(23)14-4-1-2-5-15(14)18(21)24/h1-2,4-5,7,9,12,19H,3,6,8,10-11H2,(H,20,22)
InChIKeyYEQQAKOPHBZJCO-UHFFFAOYSA-N
XLogP1.75
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110641563
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (CID 110789384) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1cc[nH]c1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The InChIKey is YEQQAKOPHBZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16(20-10-8-13-7-9-19-12-13)6-3-11-21-17(23)14-4-1-2-5-15(14)18(21)24/h1-2,4-5,7,9,12,19H,3,6,8,10-11H2,(H,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide has a molecular weight of 325.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is sourced from PubChem (CID 110789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).