1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide

C30H51N3O3 — CID 70884493

IUPAC1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
SMILESCCCC(CCC)NC(=O)c1cc(C(=O)NC(CCC)CCC)cc(C(=O)NC(CCC)CCC)c1
InChIInChI=1S/C30H51N3O3/c1-7-13-25(14-8-2)31-28(34)22-19-23(29(35)32-26(15-9-3)16-10-4)21-24(20-22)30(36)33-27(17-11-5)18-12-6/h19-21,25-27H,7-18H2,1-6H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyUVBQJRILQRTANM-UHFFFAOYSA-N
MW501.76 g/mol
LogP6.78
Rot. Bonds18

About 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide (PubChem CID 70884493) has the molecular formula C30H51N3O3 and a molecular weight of 501.76 g/mol. Its IUPAC name is 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
PubChem CID70884493
Molecular FormulaC30H51N3O3
Molecular Weight501.76 g/mol
Exact Mass501.39
IUPAC Name1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
SMILESCCCC(CCC)NC(=O)c1cc(C(=O)NC(CCC)CCC)cc(C(=O)NC(CCC)CCC)c1
InChIInChI=1S/C30H51N3O3/c1-7-13-25(14-8-2)31-28(34)22-19-23(29(35)32-26(15-9-3)16-10-4)21-24(20-22)30(36)33-27(17-11-5)18-12-6/h19-21,25-27H,7-18H2,1-6H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyUVBQJRILQRTANM-UHFFFAOYSA-N
XLogP6.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.76
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide 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

4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
4-[[3,5-bis(1-carboxydecan-3-ylcarbamoyl)benzoyl]amino]undecanoic acid
CID 101089016
N-hexan-3-yl-3,5-dinitrobenzamide
CID 140574363
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
CID 115999655
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
5-bromo-N-octan-4-ylthiophene-3-carboxamide
CID 106025537
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
4-amino-N-hexan-3-ylbenzamide
CID 62094734
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
CID 62236411

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide (CID 70884493) is 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide is CCCC(CCC)NC(=O)c1cc(C(=O)NC(CCC)CCC)cc(C(=O)NC(CCC)CCC)c1.
What is the InChIKey of 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide?
The InChIKey is UVBQJRILQRTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O3/c1-7-13-25(14-8-2)31-28(34)22-19-23(29(35)32-26(15-9-3)16-10-4)21-24(20-22)30(36)33-27(17-11-5)18-12-6/h19-21,25-27H,7-18H2,1-6H3,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of 1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide has a molecular weight of 501.76 g/mol, XLogP of 6.78, 18 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-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 70884493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).