N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide

C24H39NO4 — CID 162082235

IUPACN-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
SMILESCCCCCC1CCC(CC(=O)C[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)CC1
InChIInChI=1S/C24H39NO4/c1-2-3-4-5-16-6-8-17(9-7-16)12-20(26)13-19-14-28-23-21(15-29-22(19)23)25-24(27)18-10-11-18/h16-19,21-23H,2-15H2,1H3,(H,25,27)/t16?,17?,19-,21-,22+,23+/m0/s1
InChIKeyZCMKPNKPDNTALZ-OHIWSIOBSA-N
MW405.58 g/mol
LogP4.03
Rot. Bonds10

About N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide

N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide (PubChem CID 162082235) has the molecular formula C24H39NO4 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
PubChem CID162082235
Molecular FormulaC24H39NO4
Molecular Weight405.58 g/mol
Exact Mass405.29
IUPAC NameN-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
SMILESCCCCCC1CCC(CC(=O)C[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)CC1
InChIInChI=1S/C24H39NO4/c1-2-3-4-5-16-6-8-17(9-7-16)12-20(26)13-19-14-28-23-21(15-29-22(19)23)25-24(27)18-10-11-18/h16-19,21-23H,2-15H2,1H3,(H,25,27)/t16?,17?,19-,21-,22+,23+/m0/s1
InChIKeyZCMKPNKPDNTALZ-OHIWSIOBSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide (CID 162082235) is N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide is CCCCCC1CCC(CC(=O)C[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CC2)CC1.
What is the InChIKey of N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The InChIKey is ZCMKPNKPDNTALZ-OHIWSIOBSA-N. The full InChI is InChI=1S/C24H39NO4/c1-2-3-4-5-16-6-8-17(9-7-16)12-20(26)13-19-14-28-23-21(15-29-22(19)23)25-24(27)18-10-11-18/h16-19,21-23H,2-15H2,1H3,(H,25,27)/t16?,17?,19-,21-,22+,23+/m0/s1.
What are the key properties of N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide has a molecular weight of 405.58 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162082235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).