4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide

C20H28N2O2 — CID 90724672

IUPAC4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide
SMILESC=CCCCCc1cc(C(N)=O)c(C(N)=O)cc1CCCCC=C
InChIInChI=1S/C20H28N2O2/c1-3-5-7-9-11-15-13-17(19(21)23)18(20(22)24)14-16(15)12-10-8-6-4-2/h3-4,13-14H,1-2,5-12H2,(H2,21,23)(H2,22,24)
InChIKeyOSOPQCXXYNEXSR-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.68
Rot. Bonds12

About 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide

4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide (PubChem CID 90724672) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide
PubChem CID90724672
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide
SMILESC=CCCCCc1cc(C(N)=O)c(C(N)=O)cc1CCCCC=C
InChIInChI=1S/C20H28N2O2/c1-3-5-7-9-11-15-13-17(19(21)23)18(20(22)24)14-16(15)12-10-8-6-4-2/h3-4,13-14H,1-2,5-12H2,(H2,21,23)(H2,22,24)
InChIKeyOSOPQCXXYNEXSR-UHFFFAOYSA-N
XLogP3.68
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phthalamide
CID 6956
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
Terephthalamide
CID 76381
m-Toluamide
CID 69253
1-Naphthalenecarboxamide
CID 75244
2-Naphthalenecarboxamide
CID 75245
Isophthalamide
CID 74445
p-(tert-Butyl)benzamide
CID 92014
4-Benzylbenzamide
CID 21920336
3,4-Dimethylbenzamide
CID 21755
2,3-Dimethylbenzamide
CID 2800987

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide?
The IUPAC name of 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide (CID 90724672) is 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide is C=CCCCCc1cc(C(N)=O)c(C(N)=O)cc1CCCCC=C.
What is the InChIKey of 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide?
The InChIKey is OSOPQCXXYNEXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-5-7-9-11-15-13-17(19(21)23)18(20(22)24)14-16(15)12-10-8-6-4-2/h3-4,13-14H,1-2,5-12H2,(H2,21,23)(H2,22,24).
What are the key properties of 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide?
4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.68, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hex-5-enyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 90724672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).