1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide

C24H45N3O3 — CID 11339245

IUPAC1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide
SMILESCC(C)CNC(=O)C1(C)CC(C)(C(=O)NCC(C)C)CC(C)(C(=O)NCC(C)C)C1
InChIInChI=1S/C24H45N3O3/c1-16(2)10-25-19(28)22(7)13-23(8,20(29)26-11-17(3)4)15-24(9,14-22)21(30)27-12-18(5)6/h16-18H,10-15H2,1-9H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRTBOFCHXSRLNHL-UHFFFAOYSA-N
MW423.64 g/mol
LogP3.51
Rot. Bonds9

About 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide

1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide (PubChem CID 11339245) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide
PubChem CID11339245
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Name1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide
SMILESCC(C)CNC(=O)C1(C)CC(C)(C(=O)NCC(C)C)CC(C)(C(=O)NCC(C)C)C1
InChIInChI=1S/C24H45N3O3/c1-16(2)10-25-19(28)22(7)13-23(8,20(29)26-11-17(3)4)15-24(9,14-22)21(30)27-12-18(5)6/h16-18H,10-15H2,1-9H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRTBOFCHXSRLNHL-UHFFFAOYSA-N
XLogP3.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide?
The IUPAC name of 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide (CID 11339245) is 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide.
What is the SMILES notation for 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide?
The canonical SMILES for 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide is CC(C)CNC(=O)C1(C)CC(C)(C(=O)NCC(C)C)CC(C)(C(=O)NCC(C)C)C1.
What is the InChIKey of 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide?
The InChIKey is RTBOFCHXSRLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O3/c1-16(2)10-25-19(28)22(7)13-23(8,20(29)26-11-17(3)4)15-24(9,14-22)21(30)27-12-18(5)6/h16-18H,10-15H2,1-9H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide?
1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide has a molecular weight of 423.64 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide is sourced from PubChem (CID 11339245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).