6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione

C26H37NO5 — CID 10551239

IUPAC6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
SMILESCCCCCCCCCC/C(=N\OCCC)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O
InChIInChI=1S/C26H37NO5/c1-5-7-8-9-10-11-12-13-14-20(27-32-17-6-2)19-18-23(30-3)24-21(28)15-16-22(29)25(24)26(19)31-4/h15-16,18H,5-14,17H2,1-4H3/b27-20+
InChIKeyHEJKHVYFWUVIEK-NHFJDJAPSA-N
MW443.58 g/mol
LogP6.30
Rot. Bonds15

About 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione

6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione (PubChem CID 10551239) has the molecular formula C26H37NO5 and a molecular weight of 443.58 g/mol. Its IUPAC name is 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
PubChem CID10551239
Molecular FormulaC26H37NO5
Molecular Weight443.58 g/mol
Exact Mass443.27
IUPAC Name6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
SMILESCCCCCCCCCC/C(=N\OCCC)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O
InChIInChI=1S/C26H37NO5/c1-5-7-8-9-10-11-12-13-14-20(27-32-17-6-2)19-18-23(30-3)24-21(28)15-16-22(29)25(24)26(19)31-4/h15-16,18H,5-14,17H2,1-4H3/b27-20+
InChIKeyHEJKHVYFWUVIEK-NHFJDJAPSA-N
XLogP6.30
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,8-dimethoxy-6-[(Z)-C-nonyl-N-propoxycarbonimidoyl]naphthalene-1,4-dione
CID 177424672
6-[(E)-C-heptyl-N-hydroxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 10594625
6-(C-hexyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 86206538
6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione
CID 10809297
[1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)pentylideneamino] propanoate
CID 142629355
N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)nonan-1-imine
CID 142629347
N-propoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)tridecan-1-imine
CID 142629408
6-(C-ethyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 85240408
6-[(E)-heptoxyiminomethyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 12043295
[[1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)-4-methylpentylidene]amino] propanoate
CID 142629327
1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)heptyl hexanoate
CID 11004512
[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)undecylideneamino] propanoate
CID 142629404

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione (CID 10551239) is 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione is CCCCCCCCCC/C(=N\OCCC)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O.
What is the InChIKey of 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
The InChIKey is HEJKHVYFWUVIEK-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H37NO5/c1-5-7-8-9-10-11-12-13-14-20(27-32-17-6-2)19-18-23(30-3)24-21(28)15-16-22(29)25(24)26(19)31-4/h15-16,18H,5-14,17H2,1-4H3/b27-20+.
What are the key properties of 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione has a molecular weight of 443.58 g/mol, XLogP of 6.30, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 10551239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).