1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide

C50H90N4O4 — CID 122598400

IUPAC1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(C(=O)NCCCCCCCCCCCC)c(C(=O)NCC(CC)CCCC)cc1C(=O)NCC(CC)CCCC
InChIInChI=1S/C50H90N4O4/c1-7-13-17-19-21-23-25-27-29-31-35-51-47(55)43-37-44(48(56)52-36-32-30-28-26-24-22-20-18-14-8-2)46(50(58)54-40-42(12-6)34-16-10-4)38-45(43)49(57)53-39-41(11-5)33-15-9-3/h37-38,41-42H,7-36,39-40H2,1-6H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)
InChIKeyGUXQLMXNRUWHGS-UHFFFAOYSA-N
MW811.29 g/mol
LogP12.88
Rot. Bonds38

About 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide

1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide (PubChem CID 122598400) has the molecular formula C50H90N4O4 and a molecular weight of 811.29 g/mol. Its IUPAC name is 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide.

Molecular Properties

Compound Name1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
PubChem CID122598400
Molecular FormulaC50H90N4O4
Molecular Weight811.29 g/mol
Exact Mass810.70
IUPAC Name1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(C(=O)NCCCCCCCCCCCC)c(C(=O)NCC(CC)CCCC)cc1C(=O)NCC(CC)CCCC
InChIInChI=1S/C50H90N4O4/c1-7-13-17-19-21-23-25-27-29-31-35-51-47(55)43-37-44(48(56)52-36-32-30-28-26-24-22-20-18-14-8-2)46(50(58)54-40-42(12-6)34-16-10-4)38-45(43)49(57)53-39-41(11-5)33-15-9-3/h37-38,41-42H,7-36,39-40H2,1-6H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)
InChIKeyGUXQLMXNRUWHGS-UHFFFAOYSA-N
XLogP12.88
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.29
LogP ≤ 512.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide with MolForge

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Related Compounds

2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide?
The IUPAC name of 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide (CID 122598400) is 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide.
What is the SMILES notation for 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide?
The canonical SMILES for 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide is CCCCCCCCCCCCNC(=O)c1cc(C(=O)NCCCCCCCCCCCC)c(C(=O)NCC(CC)CCCC)cc1C(=O)NCC(CC)CCCC.
What is the InChIKey of 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide?
The InChIKey is GUXQLMXNRUWHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H90N4O4/c1-7-13-17-19-21-23-25-27-29-31-35-51-47(55)43-37-44(48(56)52-36-32-30-28-26-24-22-20-18-14-8-2)46(50(58)54-40-42(12-6)34-16-10-4)38-45(43)49(57)53-39-41(11-5)33-15-9-3/h37-38,41-42H,7-36,39-40H2,1-6H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58).
What are the key properties of 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide?
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide has a molecular weight of 811.29 g/mol, XLogP of 12.88, 38 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide is sourced from PubChem (CID 122598400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).