2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide

C18H23N3O3 — CID 119553699

IUPAC2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2C1=O
InChIInChI=1S/C18H23N3O3/c1-3-4-9-21-17(23)14-6-5-12(10-15(14)18(21)24)16(22)20(2)13-7-8-19-11-13/h5-6,10,13,19H,3-4,7-9,11H2,1-2H3
InChIKeyGHQRGXZCPRHANG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.52
Rot. Bonds5

About 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide

2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide (PubChem CID 119553699) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide
PubChem CID119553699
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2C1=O
InChIInChI=1S/C18H23N3O3/c1-3-4-9-21-17(23)14-6-5-12(10-15(14)18(21)24)16(22)20(2)13-7-8-19-11-13/h5-6,10,13,19H,3-4,7-9,11H2,1-2H3
InChIKeyGHQRGXZCPRHANG-UHFFFAOYSA-N
XLogP1.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.52
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

N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24549311
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 119197950
N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119656047
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide (CID 119553699) is 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2C1=O.
What is the InChIKey of 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide?
The InChIKey is GHQRGXZCPRHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-4-9-21-17(23)14-6-5-12(10-15(14)18(21)24)16(22)20(2)13-7-8-19-11-13/h5-6,10,13,19H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide?
2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide is sourced from PubChem (CID 119553699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).