1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide

C36H57N3O3 — CID 67413322

IUPAC1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
SMILESCCCC1CCC(NC(=O)c2cc(C(=O)NC3CCC(CCC)CC3)cc(C(=O)NC3CCC(CCC)CC3)c2)CC1
InChIInChI=1S/C36H57N3O3/c1-4-7-25-10-16-31(17-11-25)37-34(40)28-22-29(35(41)38-32-18-12-26(8-5-2)13-19-32)24-30(23-28)36(42)39-33-20-14-27(9-6-3)15-21-33/h22-27,31-33H,4-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42)
InChIKeyVWWXMXGAQRDCHI-UHFFFAOYSA-N
MW579.87 g/mol
LogP7.95
Rot. Bonds12

About 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide (PubChem CID 67413322) has the molecular formula C36H57N3O3 and a molecular weight of 579.87 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
PubChem CID67413322
Molecular FormulaC36H57N3O3
Molecular Weight579.87 g/mol
Exact Mass579.44
IUPAC Name1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
SMILESCCCC1CCC(NC(=O)c2cc(C(=O)NC3CCC(CCC)CC3)cc(C(=O)NC3CCC(CCC)CC3)c2)CC1
InChIInChI=1S/C36H57N3O3/c1-4-7-25-10-16-31(17-11-25)37-34(40)28-22-29(35(41)38-32-18-12-26(8-5-2)13-19-32)24-30(23-28)36(42)39-33-20-14-27(9-6-3)15-21-33/h22-27,31-33H,4-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42)
InChIKeyVWWXMXGAQRDCHI-UHFFFAOYSA-N
XLogP7.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.87
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide with MolForge

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Related Compounds

4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
2-chloro-6-(methylamino)-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 63499717
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 107722644
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
5-(3-hydroxyprop-1-ynyl)-N-(4-propylcyclohexyl)thiophene-3-carboxamide
CID 79690216
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide (CID 67413322) is 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide is CCCC1CCC(NC(=O)c2cc(C(=O)NC3CCC(CCC)CC3)cc(C(=O)NC3CCC(CCC)CC3)c2)CC1.
What is the InChIKey of 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide?
The InChIKey is VWWXMXGAQRDCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N3O3/c1-4-7-25-10-16-31(17-11-25)37-34(40)28-22-29(35(41)38-32-18-12-26(8-5-2)13-19-32)24-30(23-28)36(42)39-33-20-14-27(9-6-3)15-21-33/h22-27,31-33H,4-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42).
What are the key properties of 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide has a molecular weight of 579.87 g/mol, XLogP of 7.95, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 67413322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).