N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C17H25N3O3 — CID 71975306

IUPACN-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(=O)N(C(C)C)C2=O)c(C)n1C(C)C
InChIInChI=1S/C17H25N3O3/c1-9(2)19-11(5)7-13(12(19)6)16(22)18-14-8-15(21)20(10(3)4)17(14)23/h7,9-10,14H,8H2,1-6H3,(H,18,22)
InChIKeyDGYNKSMFKZTEOP-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.95
Rot. Bonds4

About N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 71975306) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID71975306
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(=O)N(C(C)C)C2=O)c(C)n1C(C)C
InChIInChI=1S/C17H25N3O3/c1-9(2)19-11(5)7-13(12(19)6)16(22)18-14-8-15(21)20(10(3)4)17(14)23/h7,9-10,14H,8H2,1-6H3,(H,18,22)
InChIKeyDGYNKSMFKZTEOP-UHFFFAOYSA-N
XLogP1.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.95
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-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)ethyl)acetamide
CID 178134
3-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4875718
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 2113511
N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 2110634
3-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2551640
2-[2-(2,5-Dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3000139
3-[2-[1-(2-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 3253987
3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-cycloheptylpropanamide
CID 3399165
3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-cyclohexylpropanamide
CID 3665397
N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide
CID 3881988
2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(sec-butyl)acetamide
CID 4206203
1-Cyclopentyl-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 4785037

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 71975306) is N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CC(=O)N(C(C)C)C2=O)c(C)n1C(C)C.
What is the InChIKey of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is DGYNKSMFKZTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-9(2)19-11(5)7-13(12(19)6)16(22)18-14-8-15(21)20(10(3)4)17(14)23/h7,9-10,14H,8H2,1-6H3,(H,18,22).
What are the key properties of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 71975306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).