N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

C20H26ClN3O4 — CID 24845203

IUPACN-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC1(C)C=C(C(=O)NCC(O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-19(2)9-15(20(3,4)22-19)16(25)21-10-12(24)11-23-17(26)13-7-5-6-8-14(13)18(23)27;/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,25);1H
InChIKeySSCGXHJSYUVFDE-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.27
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 24845203) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID24845203
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC1(C)C=C(C(=O)NCC(O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-19(2)9-15(20(3,4)22-19)16(25)21-10-12(24)11-23-17(26)13-7-5-6-8-14(13)18(23)27;/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,25);1H
InChIKeySSCGXHJSYUVFDE-UHFFFAOYSA-N
XLogP1.27
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 24845203) is N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is CC1(C)C=C(C(=O)NCC(O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1.Cl.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is SSCGXHJSYUVFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c1-19(2)9-15(20(3,4)22-19)16(25)21-10-12(24)11-23-17(26)13-7-5-6-8-14(13)18(23)27;/h5-9,12,22,24H,10-11H2,1-4H3,(H,21,25);1H.
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24845203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).