N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane

C22H32N4O4 — CID 143860817

IUPACN-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane
SMILESCC.O=C(NC1COC2C1OCC2n1cc(CC2CCCCC2)nn1)c1ccoc1
InChIInChI=1S/C20H26N4O4.C2H6/c25-20(14-6-7-26-10-14)21-16-11-27-19-17(12-28-18(16)19)24-9-15(22-23-24)8-13-4-2-1-3-5-13;1-2/h6-7,9-10,13,16-19H,1-5,8,11-12H2,(H,21,25);1-2H3
InChIKeySVRIYVJDNVWUKA-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.16
Rot. Bonds5

About N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane

N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane (PubChem CID 143860817) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane
PubChem CID143860817
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane
SMILESCC.O=C(NC1COC2C1OCC2n1cc(CC2CCCCC2)nn1)c1ccoc1
InChIInChI=1S/C20H26N4O4.C2H6/c25-20(14-6-7-26-10-14)21-16-11-27-19-17(12-28-18(16)19)24-9-15(22-23-24)8-13-4-2-1-3-5-13;1-2/h6-7,9-10,13,16-19H,1-5,8,11-12H2,(H,21,25);1-2H3
InChIKeySVRIYVJDNVWUKA-UHFFFAOYSA-N
XLogP3.16
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane with MolForge

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Related Compounds

N-[(3R,3aR,6S,6aS)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methoxybenzamide
CID 162806965
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(dimethylamino)benzamide
CID 11867589
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetamide
CID 11912008
N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methylpropanamide;ethane
CID 143860720
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(aminomethyl)furan-2-carboxamide
CID 70968813
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxyacetamide
CID 11886758
N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]thiophene-2-carboxamide
CID 70968804
N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-formylfuran-2-carboxamide
CID 89148030
N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]morpholine-4-carboxamide
CID 73138829
1-[(3S,3aS,6R,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylthiourea
CID 162879529
N-[6-[4-(methoxymethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclohexanecarboxamide
CID 73134920
N-[6-(4-benzyltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide;N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]butanamide;N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclohexanecarboxamide;N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopentanecarboxamide;N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide;N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methylpropanamide
CID 162139022

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane?
The IUPAC name of N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane (CID 143860817) is N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane.
What is the SMILES notation for N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane?
The canonical SMILES for N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane is CC.O=C(NC1COC2C1OCC2n1cc(CC2CCCCC2)nn1)c1ccoc1.
What is the InChIKey of N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane?
The InChIKey is SVRIYVJDNVWUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4.C2H6/c25-20(14-6-7-26-10-14)21-16-11-27-19-17(12-28-18(16)19)24-9-15(22-23-24)8-13-4-2-1-3-5-13;1-2/h6-7,9-10,13,16-19H,1-5,8,11-12H2,(H,21,25);1-2H3.
What are the key properties of N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane?
N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane has a molecular weight of 416.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-3-carboxamide;ethane is sourced from PubChem (CID 143860817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).