N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide

C58H118N6O33 — CID 177276127

About N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide

N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide (PubChem CID 177276127) has the molecular formula C58H118N6O33 and a molecular weight of 1427.59 g/mol. Its IUPAC name is N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide
• PubChem CID: 177276127
• Molecular Formula: C58H118N6O33
• Molecular Weight: 1427.59 g/mol
• Exact Mass: 1426.77
• IUPAC Name: N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide
• SMILES: CNCCCCOCCOCCC(=O)N(CC(=O)NCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)NCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C58H118N6O33/c1-59-5-2-3-10-88-16-17-89-11-4-50(79)64(34-48(77)60-6-12-90-18-22-94-26-28-96-24-20-92-14-8-62(30-40(69)51(80)55(84)44(73)36-65)31-41(70)52(81)56(85)45(74)37-66)35-49(78)61-7-13-91-19-23-95-27-29-97-25-21-93-15-9-63(32-42(71)53(82)57(86)46(75)38-67)33-43(72)54(83)58(87)47(76)39-68/h40-47,51-59,65-76,80-87H,2-39H2,1H3,(H,60,77)(H,61,78)/t40-,41-,42-,43-,44+,45+,46+,47+,51+,52+,53+,54+,55+,56+,57+,58+/m0/s1
• InChIKey: DYJZRSNGSAKMKC-JPJRBZNCSA-N
• XLogP: -14.05
• TPSA: 593.92 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 36
• Rotatable Bonds: 69
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.59
LogP ≤ 5	-14.05
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide?

The IUPAC name of N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide (CID 177276127) is N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide.

What is the SMILES notation for N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide?

The canonical SMILES for N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide is CNCCCCOCCOCCC(=O)N(CC(=O)NCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)NCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide?

The InChIKey is DYJZRSNGSAKMKC-JPJRBZNCSA-N. The full InChI is InChI=1S/C58H118N6O33/c1-59-5-2-3-10-88-16-17-89-11-4-50(79)64(34-48(77)60-6-12-90-18-22-94-26-28-96-24-20-92-14-8-62(30-40(69)51(80)55(84)44(73)36-65)31-41(70)52(81)56(85)45(74)37-66)35-49(78)61-7-13-91-19-23-95-27-29-97-25-21-93-15-9-63(32-42(71)53(82)57(86)46(75)38-67)33-43(72)54(83)58(87)47(76)39-68/h40-47,51-59,65-76,80-87H,2-39H2,1H3,(H,60,77)(H,61,78)/t40-,41-,42-,43-,44+,45+,46+,47+,51+,52+,53+,54+,55+,56+,57+,58+/m0/s1.

What are the key properties of N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide?

N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide has a molecular weight of 1427.59 g/mol, XLogP of -14.05, 69 rotatable bonds, 23 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-[2-[4-(methylamino)butoxy]ethoxy]propanamide is sourced from PubChem (CID 177276127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).