N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide

C25H35N3O9 — CID 161183824

About N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide

N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide (PubChem CID 161183824) has the molecular formula C25H35N3O9 and a molecular weight of 521.57 g/mol. Its IUPAC name is N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide
• PubChem CID: 161183824
• Molecular Formula: C25H35N3O9
• Molecular Weight: 521.57 g/mol
• Exact Mass: 521.24
• IUPAC Name: N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide
• SMILES: CC(=O)NC1[C@H](OCCOCCOCCNC(=O)c2ccc3cc(N)ccc3c2)OC(CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C25H35N3O9/c1-15(30)28-21-23(32)22(31)20(14-29)37-25(21)36-11-10-35-9-8-34-7-6-27-24(33)18-3-2-17-13-19(26)5-4-16(17)12-18/h2-5,12-13,20-23,25,29,31-32H,6-11,14,26H2,1H3,(H,27,33)(H,28,30)/t20?,21?,22-,23+,25+/m0/s1
• InChIKey: SATICVTZEVWCPG-CZSZLTFBSA-N
• XLogP: -0.85
• TPSA: 181.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.57
LogP ≤ 5	-0.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide?

The IUPAC name of N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide (CID 161183824) is N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide.

What is the SMILES notation for N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide?

The canonical SMILES for N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide is CC(=O)NC1[C@H](OCCOCCOCCNC(=O)c2ccc3cc(N)ccc3c2)OC(CO)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide?

The InChIKey is SATICVTZEVWCPG-CZSZLTFBSA-N. The full InChI is InChI=1S/C25H35N3O9/c1-15(30)28-21-23(32)22(31)20(14-29)37-25(21)36-11-10-35-9-8-34-7-6-27-24(33)18-3-2-17-13-19(26)5-4-16(17)12-18/h2-5,12-13,20-23,25,29,31-32H,6-11,14,26H2,1H3,(H,27,33)(H,28,30)/t20?,21?,22-,23+,25+/m0/s1.

What are the key properties of N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide?

N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide has a molecular weight of 521.57 g/mol, XLogP of -0.85, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-6-aminonaphthalene-2-carboxamide is sourced from PubChem (CID 161183824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).