1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide

C124H228N8O8 — CID 160809343

IUPAC1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide
SMILESCCCCCCCC1CCC(NC(=O)CC(C(=O)NC2CCC(CCCCCCC)CC2)C(CC(=O)NC2CCC(CCCCCCC)CC2)C(=O)NC2CCC(CCCCCCC)CC2)CC1.CCCCCCCCC1CCC(NC(=O)CC(C(=O)NC2CCC(CCCCCCCC)CC2)C(CC(=O)NC2CCC(CCCCCCCC)CC2)C(=O)NC2CCC(CCCCCCCC)CC2)CC1
InChIInChI=1S/C64H118N4O4.C60H110N4O4/c1-5-9-13-17-21-25-29-51-33-41-55(42-34-51)65-61(69)49-59(63(71)67-57-45-37-53(38-46-57)31-27-23-19-15-11-7-3)60(64(72)68-58-47-39-54(40-48-58)32-28-24-20-16-12-8-4)50-62(70)66-56-43-35-52(36-44-56)30-26-22-18-14-10-6-2;1-5-9-13-17-21-25-47-29-37-51(38-30-47)61-57(65)45-55(59(67)63-53-41-33-49(34-42-53)27-23-19-15-11-7-3)56(60(68)64-54-43-35-50(36-44-54)28-24-20-16-12-8-4)46-58(66)62-52-39-31-48(32-40-52)26-22-18-14-10-6-2/h51-60H,5-50H2,1-4H3,(H,65,69)(H,66,70)(H,67,71)(H,68,72);47-56H,5-46H2,1-4H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68)
InChIKeySECNWPADUYIOGO-UHFFFAOYSA-N
MW1959.24 g/mol
LogP31.84
Rot. Bonds74

About 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide

1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide (PubChem CID 160809343) has the molecular formula C124H228N8O8 and a molecular weight of 1959.24 g/mol. Its IUPAC name is 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide
PubChem CID160809343
Molecular FormulaC124H228N8O8
Molecular Weight1959.24 g/mol
Exact Mass1957.77
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide
SMILESCCCCCCCC1CCC(NC(=O)CC(C(=O)NC2CCC(CCCCCCC)CC2)C(CC(=O)NC2CCC(CCCCCCC)CC2)C(=O)NC2CCC(CCCCCCC)CC2)CC1.CCCCCCCCC1CCC(NC(=O)CC(C(=O)NC2CCC(CCCCCCCC)CC2)C(CC(=O)NC2CCC(CCCCCCCC)CC2)C(=O)NC2CCC(CCCCCCCC)CC2)CC1
InChIInChI=1S/C64H118N4O4.C60H110N4O4/c1-5-9-13-17-21-25-29-51-33-41-55(42-34-51)65-61(69)49-59(63(71)67-57-45-37-53(38-46-57)31-27-23-19-15-11-7-3)60(64(72)68-58-47-39-54(40-48-58)32-28-24-20-16-12-8-4)50-62(70)66-56-43-35-52(36-44-56)30-26-22-18-14-10-6-2;1-5-9-13-17-21-25-47-29-37-51(38-30-47)61-57(65)45-55(59(67)63-53-41-33-49(34-42-53)27-23-19-15-11-7-3)56(60(68)64-54-43-35-50(36-44-54)28-24-20-16-12-8-4)46-58(66)62-52-39-31-48(32-40-52)26-22-18-14-10-6-2/h51-60H,5-50H2,1-4H3,(H,65,69)(H,66,70)(H,67,71)(H,68,72);47-56H,5-46H2,1-4H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68)
InChIKeySECNWPADUYIOGO-UHFFFAOYSA-N
XLogP31.84
TPSA232.80 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds74
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.24
LogP ≤ 531.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide with MolForge

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Related Compounds

1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide
CID 67414035
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
2-[(4-pentylcyclohexyl)amino]propanoic acid
CID 174627181
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363
azane;hexylcyclopropane
CID 135322230
N-methyl-3-nonylcyclopentan-1-amine
CID 64505656
1-cyclopropyltritriacontan-16-one
CID 175774225
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide (CID 160809343) is 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide is CCCCCCCC1CCC(NC(=O)CC(C(=O)NC2CCC(CCCCCCC)CC2)C(CC(=O)NC2CCC(CCCCCCC)CC2)C(=O)NC2CCC(CCCCCCC)CC2)CC1.CCCCCCCCC1CCC(NC(=O)CC(C(=O)NC2CCC(CCCCCCCC)CC2)C(CC(=O)NC2CCC(CCCCCCCC)CC2)C(=O)NC2CCC(CCCCCCCC)CC2)CC1.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is SECNWPADUYIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H118N4O4.C60H110N4O4/c1-5-9-13-17-21-25-29-51-33-41-55(42-34-51)65-61(69)49-59(63(71)67-57-45-37-53(38-46-57)31-27-23-19-15-11-7-3)60(64(72)68-58-47-39-54(40-48-58)32-28-24-20-16-12-8-4)50-62(70)66-56-43-35-52(36-44-56)30-26-22-18-14-10-6-2;1-5-9-13-17-21-25-47-29-37-51(38-30-47)61-57(65)45-55(59(67)63-53-41-33-49(34-42-53)27-23-19-15-11-7-3)56(60(68)64-54-43-35-50(36-44-54)28-24-20-16-12-8-4)46-58(66)62-52-39-31-48(32-40-52)26-22-18-14-10-6-2/h51-60H,5-50H2,1-4H3,(H,65,69)(H,66,70)(H,67,71)(H,68,72);47-56H,5-46H2,1-4H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68).
What are the key properties of 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 1959.24 g/mol, XLogP of 31.84, 74 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 160809343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).