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

C23H40N2O3 — CID 134403532

IUPAC(3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCCC1(C(C)C)CC(=O)N(CCCCNC(=O)C2CC[C@H](C(C)(C)C)C2)C1=O
InChIInChI=1S/C23H40N2O3/c1-7-23(16(2)3)15-19(26)25(21(23)28)13-9-8-12-24-20(27)17-10-11-18(14-17)22(4,5)6/h16-18H,7-15H2,1-6H3,(H,24,27)/t17?,18-,23?/m0/s1
InChIKeyGWFZKDOCVKOUOB-OTQYULQBSA-N
MW392.58 g/mol
LogP4.16
Rot. Bonds8

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

(3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 134403532) has the molecular formula C23H40N2O3 and a molecular weight of 392.58 g/mol. Its IUPAC name is (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
PubChem CID134403532
Molecular FormulaC23H40N2O3
Molecular Weight392.58 g/mol
Exact Mass392.30
IUPAC Name(3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCCC1(C(C)C)CC(=O)N(CCCCNC(=O)C2CC[C@H](C(C)(C)C)C2)C1=O
InChIInChI=1S/C23H40N2O3/c1-7-23(16(2)3)15-19(26)25(21(23)28)13-9-8-12-24-20(27)17-10-11-18(14-17)22(4,5)6/h16-18H,7-15H2,1-6H3,(H,24,27)/t17?,18-,23?/m0/s1
InChIKeyGWFZKDOCVKOUOB-OTQYULQBSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 54.16
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 (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide (CID 134403532) is (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide is CCC1(C(C)C)CC(=O)N(CCCCNC(=O)C2CC[C@H](C(C)(C)C)C2)C1=O.
What is the InChIKey of (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is GWFZKDOCVKOUOB-OTQYULQBSA-N. The full InChI is InChI=1S/C23H40N2O3/c1-7-23(16(2)3)15-19(26)25(21(23)28)13-9-8-12-24-20(27)17-10-11-18(14-17)22(4,5)6/h16-18H,7-15H2,1-6H3,(H,24,27)/t17?,18-,23?/m0/s1.
What are the key properties of (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide?
(3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 392.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butyl-N-[4-(3-ethyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 134403532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).