(3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide

C18H28N2O3 — CID 134402013

IUPAC(3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)[C@@H]1CCC(C(=O)NCCCCN2C(=O)C=CC2=O)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)14-7-6-13(12-14)17(23)19-10-4-5-11-20-15(21)8-9-16(20)22/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,23)/t13?,14-/m1/s1
InChIKeyHWXOCHMKKHEOHE-ARLHGKGLSA-N
MW320.43 g/mol
LogP2.27
Rot. Bonds6

About (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide

(3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide (PubChem CID 134402013) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide
PubChem CID134402013
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)[C@@H]1CCC(C(=O)NCCCCN2C(=O)C=CC2=O)C1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)14-7-6-13(12-14)17(23)19-10-4-5-11-20-15(21)8-9-16(20)22/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,23)/t13?,14-/m1/s1
InChIKeyHWXOCHMKKHEOHE-ARLHGKGLSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.27
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 (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide?
The IUPAC name of (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide (CID 134402013) is (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide?
The canonical SMILES for (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide is CC(C)(C)[C@@H]1CCC(C(=O)NCCCCN2C(=O)C=CC2=O)C1.
What is the InChIKey of (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide?
The InChIKey is HWXOCHMKKHEOHE-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)14-7-6-13(12-14)17(23)19-10-4-5-11-20-15(21)8-9-16(20)22/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,23)/t13?,14-/m1/s1.
What are the key properties of (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide?
(3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-N-[4-(2,5-dioxopyrrol-1-yl)butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 134402013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).