3-decylbenzene-1,2,4,5-tetracarboxamide

C20H30N4O4 — CID 175294645

IUPAC3-decylbenzene-1,2,4,5-tetracarboxamide
SMILESCCCCCCCCCCc1c(C(N)=O)c(C(N)=O)cc(C(N)=O)c1C(N)=O
InChIInChI=1S/C20H30N4O4/c1-2-3-4-5-6-7-8-9-10-12-15(19(23)27)13(17(21)25)11-14(18(22)26)16(12)20(24)28/h11H,2-10H2,1H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)
InChIKeyCKCFTTAFYNRNBJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.77
Rot. Bonds13

About 3-decylbenzene-1,2,4,5-tetracarboxamide

3-decylbenzene-1,2,4,5-tetracarboxamide (PubChem CID 175294645) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-decylbenzene-1,2,4,5-tetracarboxamide.

Molecular Properties

Compound Name3-decylbenzene-1,2,4,5-tetracarboxamide
PubChem CID175294645
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name3-decylbenzene-1,2,4,5-tetracarboxamide
SMILESCCCCCCCCCCc1c(C(N)=O)c(C(N)=O)cc(C(N)=O)c1C(N)=O
InChIInChI=1S/C20H30N4O4/c1-2-3-4-5-6-7-8-9-10-12-15(19(23)27)13(17(21)25)11-14(18(22)26)16(12)20(24)28/h11H,2-10H2,1H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28)
InChIKeyCKCFTTAFYNRNBJ-UHFFFAOYSA-N
XLogP1.77
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2,3-dihexyl-4-methylbenzamide
CID 154326325
3,4-dibutylbenzene-1,2-dicarboxamide
CID 175393546
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
6-dodecyl-3,4-diethyl-2-methylbenzamide
CID 174590576
2-octylbenzamide
CID 11148995
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684
2-decylbenzene-1,4-dicarboxamide
CID 141297186
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzene-1,3-dicarboxamide
CID 175126140
2,3-di(icosyl)terephthalic acid
CID 89482295
2-nonyl-3-pentylterephthalic acid
CID 122470238

Frequently Asked Questions

What is the IUPAC name of 3-decylbenzene-1,2,4,5-tetracarboxamide?
The IUPAC name of 3-decylbenzene-1,2,4,5-tetracarboxamide (CID 175294645) is 3-decylbenzene-1,2,4,5-tetracarboxamide.
What is the SMILES notation for 3-decylbenzene-1,2,4,5-tetracarboxamide?
The canonical SMILES for 3-decylbenzene-1,2,4,5-tetracarboxamide is CCCCCCCCCCc1c(C(N)=O)c(C(N)=O)cc(C(N)=O)c1C(N)=O.
What is the InChIKey of 3-decylbenzene-1,2,4,5-tetracarboxamide?
The InChIKey is CKCFTTAFYNRNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-2-3-4-5-6-7-8-9-10-12-15(19(23)27)13(17(21)25)11-14(18(22)26)16(12)20(24)28/h11H,2-10H2,1H3,(H2,21,25)(H2,22,26)(H2,23,27)(H2,24,28).
What are the key properties of 3-decylbenzene-1,2,4,5-tetracarboxamide?
3-decylbenzene-1,2,4,5-tetracarboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.77, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylbenzene-1,2,4,5-tetracarboxamide is sourced from PubChem (CID 175294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).