1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide

C24H39N3O3 — CID 70884498

IUPAC1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
SMILESCCC(C)CNC(=O)c1cc(C(=O)NCC(C)CC)cc(C(=O)NCC(C)CC)c1
InChIInChI=1S/C24H39N3O3/c1-7-16(4)13-25-22(28)19-10-20(23(29)26-14-17(5)8-2)12-21(11-19)24(30)27-15-18(6)9-3/h10-12,16-18H,7-9,13-15H2,1-6H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyYZRQNQLWVJVOEB-UHFFFAOYSA-N
MW417.59 g/mol
LogP4.01
Rot. Bonds12

About 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide (PubChem CID 70884498) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
PubChem CID70884498
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
SMILESCCC(C)CNC(=O)c1cc(C(=O)NCC(C)CC)cc(C(=O)NCC(C)CC)c1
InChIInChI=1S/C24H39N3O3/c1-7-16(4)13-25-22(28)19-10-20(23(29)26-14-17(5)8-2)12-21(11-19)24(30)27-15-18(6)9-3/h10-12,16-18H,7-9,13-15H2,1-6H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyYZRQNQLWVJVOEB-UHFFFAOYSA-N
XLogP4.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methylbutyl)benzamide
CID 22242294
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
[3-fluoro-5-(2-methylbutylcarbamoyl)phenyl]boronic acid
CID 164711167
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
CID 167532021
CID 167532021
3-chloro-4-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
CID 62691881
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide (CID 70884498) is 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide is CCC(C)CNC(=O)c1cc(C(=O)NCC(C)CC)cc(C(=O)NCC(C)CC)c1.
What is the InChIKey of 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide?
The InChIKey is YZRQNQLWVJVOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-7-16(4)13-25-22(28)19-10-20(23(29)26-14-17(5)8-2)12-21(11-19)24(30)27-15-18(6)9-3/h10-12,16-18H,7-9,13-15H2,1-6H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide has a molecular weight of 417.59 g/mol, XLogP of 4.01, 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(2-methylbutyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 70884498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).