3-dodecoxynaphthalene-2,7-dicarboxamide

C24H34N2O3 — CID 86025040

IUPAC3-dodecoxynaphthalene-2,7-dicarboxamide
SMILESCCCCCCCCCCCCOc1cc2ccc(C(N)=O)cc2cc1C(N)=O
InChIInChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-14-29-22-17-18-12-13-19(23(25)27)15-20(18)16-21(22)24(26)28/h12-13,15-17H,2-11,14H2,1H3,(H2,25,27)(H2,26,28)
InChIKeyVMXUGJUJQWMZEK-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.34
Rot. Bonds14

About 3-dodecoxynaphthalene-2,7-dicarboxamide

3-dodecoxynaphthalene-2,7-dicarboxamide (PubChem CID 86025040) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-dodecoxynaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name3-dodecoxynaphthalene-2,7-dicarboxamide
PubChem CID86025040
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name3-dodecoxynaphthalene-2,7-dicarboxamide
SMILESCCCCCCCCCCCCOc1cc2ccc(C(N)=O)cc2cc1C(N)=O
InChIInChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-14-29-22-17-18-12-13-19(23(25)27)15-20(18)16-21(22)24(26)28/h12-13,15-17H,2-11,14H2,1H3,(H2,25,27)(H2,26,28)
InChIKeyVMXUGJUJQWMZEK-UHFFFAOYSA-N
XLogP5.34
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
4-methoxy-3-pentoxybenzamide
CID 82041442
3-chloro-4-dodecoxybenzamide
CID 172740881
3-amino-4-butoxybenzamide
CID 43448596
4-butoxy-3-methoxybenzamide
CID 47102628
2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
CID 140972457
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
2-octadecoxyterephthalic acid
CID 142668937
3,5-di(pentadecoxy)benzamide
CID 69275649
5-amino-2-butoxybenzamide
CID 61305277

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxynaphthalene-2,7-dicarboxamide?
The IUPAC name of 3-dodecoxynaphthalene-2,7-dicarboxamide (CID 86025040) is 3-dodecoxynaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 3-dodecoxynaphthalene-2,7-dicarboxamide?
The canonical SMILES for 3-dodecoxynaphthalene-2,7-dicarboxamide is CCCCCCCCCCCCOc1cc2ccc(C(N)=O)cc2cc1C(N)=O.
What is the InChIKey of 3-dodecoxynaphthalene-2,7-dicarboxamide?
The InChIKey is VMXUGJUJQWMZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-14-29-22-17-18-12-13-19(23(25)27)15-20(18)16-21(22)24(26)28/h12-13,15-17H,2-11,14H2,1H3,(H2,25,27)(H2,26,28).
What are the key properties of 3-dodecoxynaphthalene-2,7-dicarboxamide?
3-dodecoxynaphthalene-2,7-dicarboxamide has a molecular weight of 398.55 g/mol, XLogP of 5.34, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxynaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 86025040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).