6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide

C34H40N4O4 — CID 11678584

IUPAC6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
SMILESO=C(CCCCCOCc1ccccc1)Nc1ccc2ccc(NC(=O)CCCCCOCc3ccccc3)nc2n1
InChIInChI=1S/C34H40N4O4/c39-32(17-9-3-11-23-41-25-27-13-5-1-6-14-27)35-30-21-19-29-20-22-31(38-34(29)37-30)36-33(40)18-10-4-12-24-42-26-28-15-7-2-8-16-28/h1-2,5-8,13-16,19-22H,3-4,9-12,17-18,23-26H2,(H2,35,36,37,38,39,40)
InChIKeyHVWLXXBATGNCKM-UHFFFAOYSA-N
MW568.72 g/mol
LogP7.06
Rot. Bonds18

About 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide

6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide (PubChem CID 11678584) has the molecular formula C34H40N4O4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide.

Molecular Properties

Compound Name6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
PubChem CID11678584
Molecular FormulaC34H40N4O4
Molecular Weight568.72 g/mol
Exact Mass568.30
IUPAC Name6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
SMILESO=C(CCCCCOCc1ccccc1)Nc1ccc2ccc(NC(=O)CCCCCOCc3ccccc3)nc2n1
InChIInChI=1S/C34H40N4O4/c39-32(17-9-3-11-23-41-25-27-13-5-1-6-14-27)35-30-21-19-29-20-22-31(38-34(29)37-30)36-33(40)18-10-4-12-24-42-26-28-15-7-2-8-16-28/h1-2,5-8,13-16,19-22H,3-4,9-12,17-18,23-26H2,(H2,35,36,37,38,39,40)
InChIKeyHVWLXXBATGNCKM-UHFFFAOYSA-N
XLogP7.06
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide?
The IUPAC name of 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide (CID 11678584) is 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide.
What is the SMILES notation for 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide?
The canonical SMILES for 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide is O=C(CCCCCOCc1ccccc1)Nc1ccc2ccc(NC(=O)CCCCCOCc3ccccc3)nc2n1.
What is the InChIKey of 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide?
The InChIKey is HVWLXXBATGNCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O4/c39-32(17-9-3-11-23-41-25-27-13-5-1-6-14-27)35-30-21-19-29-20-22-31(38-34(29)37-30)36-33(40)18-10-4-12-24-42-26-28-15-7-2-8-16-28/h1-2,5-8,13-16,19-22H,3-4,9-12,17-18,23-26H2,(H2,35,36,37,38,39,40).
What are the key properties of 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide?
6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide has a molecular weight of 568.72 g/mol, XLogP of 7.06, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide is sourced from PubChem (CID 11678584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).