N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

C19H27N3O3 — CID 14458350

IUPACN-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCN2C(=O)C3CC=CCC3C2=O)C(C)(C)N1
InChIInChI=1S/C19H27N3O3/c1-18(2)11-14(19(3,4)21-18)15(23)20-9-10-22-16(24)12-7-5-6-8-13(12)17(22)25/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23)
InChIKeyFTIZMQDAYRGQEU-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (PubChem CID 14458350) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
PubChem CID14458350
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCN2C(=O)C3CC=CCC3C2=O)C(C)(C)N1
InChIInChI=1S/C19H27N3O3/c1-18(2)11-14(19(3,4)21-18)15(23)20-9-10-22-16(24)12-7-5-6-8-13(12)17(22)25/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23)
InChIKeyFTIZMQDAYRGQEU-UHFFFAOYSA-N
XLogP1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(2-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)ethyl)-2,2,5,5-tetramethyl-, monohydrochloride
CID 24845230
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)propyl)-2,2,5,5-tetramethyl-, monohydrochloride
CID 24845231
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(2-(octahydro-1,3-dioxo-2H-isoindol-2-yl)ethyl)-2,2,5,5-tetramethyl-, monohydrochloride
CID 24845269
N-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14458348
N-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14458349
N-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14458351
N-[(3aS,4R,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 12078741
(2R,5R)-5-[(Z)-[(3aS,7aS)-5-fluoro-2-oxo-3a,4,7,7a-tetrahydro-1H-indol-3-ylidene]methyl]-N-[2-(ethylamino)ethyl]-2,4-dimethylpyrrolidine-3-carboxamide
CID 132096139
N-[(3aS,4S,7aS)-2,5-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 56602310
N-[(3aS,4R,7S,7aS)-2,7-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]but-2-ynamide
CID 135003571
N-[(3aS,7aS)-2-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 135080668
N-[(3aR,4S,7S,7aR)-2,6-dimethyl-7-(3-methylbut-2-enyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 139190727

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (CID 14458350) is N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCN2C(=O)C3CC=CCC3C2=O)C(C)(C)N1.
What is the InChIKey of N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The InChIKey is FTIZMQDAYRGQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2)11-14(19(3,4)21-18)15(23)20-9-10-22-16(24)12-7-5-6-8-13(12)17(22)25/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14458350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).