N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide

C58H102N6O28 — CID 157247722

About N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide

N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide (PubChem CID 157247722) has the molecular formula C58H102N6O28 and a molecular weight of 1331.47 g/mol. Its IUPAC name is N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide.

Molecular Properties

• Compound Name: N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide
• PubChem CID: 157247722
• Molecular Formula: C58H102N6O28
• Molecular Weight: 1331.47 g/mol
• Exact Mass: 1330.67
• IUPAC Name: N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide
• SMILES: CCNC(=O)CCCCC(=O)N(CC(=O)CCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)CCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.CCNC(=O)CCCCC(=O)N(CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C30H52N2O14.C28H50N4O14/c1-4-31-21(35)11-5-6-12-22(36)32(15-19(33)9-7-13-43-29-27(41)25(39)23(37)17(2)45-29)16-20(34)10-8-14-44-30-28(42)26(40)24(38)18(3)46-30;1-4-29-17(33)7-5-6-8-20(36)32(13-18(34)30-9-11-43-27-25(41)23(39)21(37)15(2)45-27)14-19(35)31-10-12-44-28-26(42)24(40)22(38)16(3)46-28/h17-18,23-30,37-42H,4-16H2,1-3H3,(H,31,35);15-16,21-28,37-42H,4-14H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+;15-,16-,21+,22+,23+,24+,25-,26-,27+,28+/m00/s1
• InChIKey: AVZCBRHFVBWCOF-SSPJBMDYSA-N
• XLogP: -6.67
• TPSA: 507.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.47
LogP ≤ 5	-6.67
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide?

The IUPAC name of N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide (CID 157247722) is N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide.

What is the SMILES notation for N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide?

The canonical SMILES for N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide is CCNC(=O)CCCCC(=O)N(CC(=O)CCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)CCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.CCNC(=O)CCCCC(=O)N(CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide?

The InChIKey is AVZCBRHFVBWCOF-SSPJBMDYSA-N. The full InChI is InChI=1S/C30H52N2O14.C28H50N4O14/c1-4-31-21(35)11-5-6-12-22(36)32(15-19(33)9-7-13-43-29-27(41)25(39)23(37)17(2)45-29)16-20(34)10-8-14-44-30-28(42)26(40)24(38)18(3)46-30;1-4-29-17(33)7-5-6-8-20(36)32(13-18(34)30-9-11-43-27-25(41)23(39)21(37)15(2)45-27)14-19(35)31-10-12-44-28-26(42)24(40)22(38)16(3)46-28/h17-18,23-30,37-42H,4-16H2,1-3H3,(H,31,35);15-16,21-28,37-42H,4-14H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+;15-,16-,21+,22+,23+,24+,25-,26-,27+,28+/m00/s1.

What are the key properties of N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide?

N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide has a molecular weight of 1331.47 g/mol, XLogP of -6.67, 38 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N',N'-bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]hexanediamide;N-ethyl-N',N'-bis[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]hexanediamide is sourced from PubChem (CID 157247722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).