N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide

C16H27NO3 — CID 70802265

IUPACN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide
SMILESO=C(CCCC1CCCCC1)N[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C16H27NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-13-11-20-14-9-10-19-16(13)14/h12-14,16H,1-11H2,(H,17,18)/t13-,14+,16+/m0/s1
InChIKeyVMPSOIGYXWAZEQ-SQWLQELKSA-N
MW281.40 g/mol
LogP2.41
Rot. Bonds5

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

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide (PubChem CID 70802265) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide.

Molecular Properties

Compound NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide
PubChem CID70802265
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide
SMILESO=C(CCCC1CCCCC1)N[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C16H27NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-13-11-20-14-9-10-19-16(13)14/h12-14,16H,1-11H2,(H,17,18)/t13-,14+,16+/m0/s1
InChIKeyVMPSOIGYXWAZEQ-SQWLQELKSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide?
The IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide (CID 70802265) is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide.
What is the SMILES notation for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide?
The canonical SMILES for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide is O=C(CCCC1CCCCC1)N[C@H]1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide?
The InChIKey is VMPSOIGYXWAZEQ-SQWLQELKSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-13-11-20-14-9-10-19-16(13)14/h12-14,16H,1-11H2,(H,17,18)/t13-,14+,16+/m0/s1.
What are the key properties of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide?
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide is sourced from PubChem (CID 70802265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).