3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide

C22H38N2O3 — CID 134403412

IUPAC3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC(C)C1(C)CC(=O)N(CCCCNC(=O)C2CCC(C(C)(C)C)C2)C1=O
InChIInChI=1S/C22H38N2O3/c1-15(2)22(6)14-18(25)24(20(22)27)12-8-7-11-23-19(26)16-9-10-17(13-16)21(3,4)5/h15-17H,7-14H2,1-6H3,(H,23,26)
InChIKeyVJTGTDPICOITJX-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.77
Rot. Bonds7

About 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide

3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 134403412) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
PubChem CID134403412
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Name3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC(C)C1(C)CC(=O)N(CCCCNC(=O)C2CCC(C(C)(C)C)C2)C1=O
InChIInChI=1S/C22H38N2O3/c1-15(2)22(6)14-18(25)24(20(22)27)12-8-7-11-23-19(26)16-9-10-17(13-16)21(3,4)5/h15-17H,7-14H2,1-6H3,(H,23,26)
InChIKeyVJTGTDPICOITJX-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide (CID 134403412) is 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide is CC(C)C1(C)CC(=O)N(CCCCNC(=O)C2CCC(C(C)(C)C)C2)C1=O.
What is the InChIKey of 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is VJTGTDPICOITJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-15(2)22(6)14-18(25)24(20(22)27)12-8-7-11-23-19(26)16-9-10-17(13-16)21(3,4)5/h15-17H,7-14H2,1-6H3,(H,23,26).
What are the key properties of 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 134403412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).