N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

C17H28N2O3 — CID 100703789

IUPACN-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@@H](CC(=O)N1CC[C@H]2OCC[C@H]2C1)NC(=O)C1CCCC1
InChIInChI=1S/C17H28N2O3/c1-12(18-17(21)13-4-2-3-5-13)10-16(20)19-8-6-15-14(11-19)7-9-22-15/h12-15H,2-11H2,1H3,(H,18,21)/t12-,14-,15+/m0/s1
InChIKeyQNTVHPSKQROFQD-AEGPPILISA-N
MW308.42 g/mol
LogP1.71
Rot. Bonds4

About N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 100703789) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID100703789
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@@H](CC(=O)N1CC[C@H]2OCC[C@H]2C1)NC(=O)C1CCCC1
InChIInChI=1S/C17H28N2O3/c1-12(18-17(21)13-4-2-3-5-13)10-16(20)19-8-6-15-14(11-19)7-9-22-15/h12-15H,2-11H2,1H3,(H,18,21)/t12-,14-,15+/m0/s1
InChIKeyQNTVHPSKQROFQD-AEGPPILISA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 100703789) is N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide is C[C@@H](CC(=O)N1CC[C@H]2OCC[C@H]2C1)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is QNTVHPSKQROFQD-AEGPPILISA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(18-17(21)13-4-2-3-5-13)10-16(20)19-8-6-15-14(11-19)7-9-22-15/h12-15H,2-11H2,1H3,(H,18,21)/t12-,14-,15+/m0/s1.
What are the key properties of N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 100703789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).