N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide

C31H36N4O5 — CID 168806863

About N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide

N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 168806863) has the molecular formula C31H36N4O5 and a molecular weight of 544.65 g/mol. Its IUPAC name is N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide
• PubChem CID: 168806863
• Molecular Formula: C31H36N4O5
• Molecular Weight: 544.65 g/mol
• Exact Mass: 544.27
• IUPAC Name: N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide
• SMILES: CC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C2COC3OCCC32)cc1
• InChI: InChI=1S/C31H36N4O5/c1-31(2,3)19-8-10-20(11-9-19)35(29(38)24-15-32-17-33-24)27(23-16-40-30-22(23)12-13-39-30)28(37)34-26-21-7-5-4-6-18(21)14-25(26)36/h4-11,15,17,22-23,25-27,30,36H,12-14,16H2,1-3H3,(H,32,33)(H,34,37)/t22?,23?,25-,26+,27?,30?/m0/s1
• InChIKey: JUMNFTOXAXJWKC-GIAMMDNWSA-N
• XLogP: 3.51
• TPSA: 116.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.65
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?

The IUPAC name of N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide (CID 168806863) is N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C2COC3OCCC32)cc1.

What is the InChIKey of N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?

The InChIKey is JUMNFTOXAXJWKC-GIAMMDNWSA-N. The full InChI is InChI=1S/C31H36N4O5/c1-31(2,3)19-8-10-20(11-9-19)35(29(38)24-15-32-17-33-24)27(23-16-40-30-22(23)12-13-39-30)28(37)34-26-21-7-5-4-6-18(21)14-25(26)36/h4-11,15,17,22-23,25-27,30,36H,12-14,16H2,1-3H3,(H,32,33)(H,34,37)/t22?,23?,25-,26+,27?,30?/m0/s1.

What are the key properties of N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide?

N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 544.65 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 168806863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).