1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide

C48H86N4O4 — CID 67414035

IUPAC1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide
SMILESCCCCC1CCCC(NC(=O)CC(C(=O)NC2CCCC(CCCC)C2)C(CC(=O)NC2CCCC(CCCC)C2)C(=O)NC2CCCC(CCCC)C2)C1
InChIInChI=1S/C48H86N4O4/c1-5-9-17-35-21-13-25-39(29-35)49-45(53)33-43(47(55)51-41-27-15-23-37(31-41)19-11-7-3)44(48(56)52-42-28-16-24-38(32-42)20-12-8-4)34-46(54)50-40-26-14-22-36(30-40)18-10-6-2/h35-44H,5-34H2,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyPIXCVLIUULSHKL-UHFFFAOYSA-N
MW783.24 g/mol
LogP10.46
Rot. Bonds23

About 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide

1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide (PubChem CID 67414035) has the molecular formula C48H86N4O4 and a molecular weight of 783.24 g/mol. Its IUPAC name is 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide
PubChem CID67414035
Molecular FormulaC48H86N4O4
Molecular Weight783.24 g/mol
Exact Mass782.66
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide
SMILESCCCCC1CCCC(NC(=O)CC(C(=O)NC2CCCC(CCCC)C2)C(CC(=O)NC2CCCC(CCCC)C2)C(=O)NC2CCCC(CCCC)C2)C1
InChIInChI=1S/C48H86N4O4/c1-5-9-17-35-21-13-25-39(29-35)49-45(53)33-43(47(55)51-41-27-15-23-37(31-41)19-11-7-3)44(48(56)52-42-28-16-24-38(32-42)20-12-8-4)34-46(54)50-40-26-14-22-36(30-40)18-10-6-2/h35-44H,5-34H2,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyPIXCVLIUULSHKL-UHFFFAOYSA-N
XLogP10.46
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.24
LogP ≤ 510.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
N-(3-ethylcyclohexyl)-5-hydroxypentanamide
CID 79210264
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)
CID 161493224
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
1,3-dipentylcyclohexane
CID 54105663
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
2-[4-(cyclohexylamino)-4-oxobutan-2-yl]hexanoic acid
CID 3125314

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide (CID 67414035) is 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide is CCCCC1CCCC(NC(=O)CC(C(=O)NC2CCCC(CCCC)C2)C(CC(=O)NC2CCCC(CCCC)C2)C(=O)NC2CCCC(CCCC)C2)C1.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is PIXCVLIUULSHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H86N4O4/c1-5-9-17-35-21-13-25-39(29-35)49-45(53)33-43(47(55)51-41-27-15-23-37(31-41)19-11-7-3)44(48(56)52-42-28-16-24-38(32-42)20-12-8-4)34-46(54)50-40-26-14-22-36(30-40)18-10-6-2/h35-44H,5-34H2,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56).
What are the key properties of 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 783.24 g/mol, XLogP of 10.46, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 67414035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).