N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide

C19H29N3O5 — CID 90895344

IUPACN-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide
SMILESO=CC(CC1CCCC1)(NC(=O)N1CCOCC1)N1CCC2OCC(=O)C21
InChIInChI=1S/C19H29N3O5/c23-13-19(11-14-3-1-2-4-14,20-18(25)21-7-9-26-10-8-21)22-6-5-16-17(22)15(24)12-27-16/h13-14,16-17H,1-12H2,(H,20,25)
InChIKeyHQZBCJQFJROAIO-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.55
Rot. Bonds5

About N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide

N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 90895344) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID90895344
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC NameN-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide
SMILESO=CC(CC1CCCC1)(NC(=O)N1CCOCC1)N1CCC2OCC(=O)C21
InChIInChI=1S/C19H29N3O5/c23-13-19(11-14-3-1-2-4-14,20-18(25)21-7-9-26-10-8-21)22-6-5-16-17(22)15(24)12-27-16/h13-14,16-17H,1-12H2,(H,20,25)
InChIKeyHQZBCJQFJROAIO-UHFFFAOYSA-N
XLogP0.55
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide (CID 90895344) is N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide is O=CC(CC1CCCC1)(NC(=O)N1CCOCC1)N1CCC2OCC(=O)C21.
What is the InChIKey of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is HQZBCJQFJROAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c23-13-19(11-14-3-1-2-4-14,20-18(25)21-7-9-26-10-8-21)22-6-5-16-17(22)15(24)12-27-16/h13-14,16-17H,1-12H2,(H,20,25).
What are the key properties of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide?
N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 90895344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).