1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide

C33H41N3O3 — CID 67992232

IUPAC1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
SMILESCc1cc(C)c(NC(=O)CC(CC(=O)Nc2c(C)cc(C)cc2C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C33H41N3O3/c1-18-10-21(4)30(22(5)11-18)34-28(37)16-27(33(39)36-32-25(8)14-20(3)15-26(32)9)17-29(38)35-31-23(6)12-19(2)13-24(31)7/h10-15,27H,16-17H2,1-9H3,(H,34,37)(H,35,38)(H,36,39)
InChIKeyUCHRMLNTMBNZAU-UHFFFAOYSA-N
MW527.71 g/mol
LogP7.07
Rot. Bonds8

About 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide

1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide (PubChem CID 67992232) has the molecular formula C33H41N3O3 and a molecular weight of 527.71 g/mol. Its IUPAC name is 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
PubChem CID67992232
Molecular FormulaC33H41N3O3
Molecular Weight527.71 g/mol
Exact Mass527.31
IUPAC Name1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
SMILESCc1cc(C)c(NC(=O)CC(CC(=O)Nc2c(C)cc(C)cc2C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C33H41N3O3/c1-18-10-21(4)30(22(5)11-18)34-28(37)16-27(33(39)36-32-25(8)14-20(3)15-26(32)9)17-29(38)35-31-23(6)12-19(2)13-24(31)7/h10-15,27H,16-17H2,1-9H3,(H,34,37)(H,35,38)(H,36,39)
InChIKeyUCHRMLNTMBNZAU-UHFFFAOYSA-N
XLogP7.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-cyano-N-(2,4,6-trimethylphenyl)butanamide
CID 82115707
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
(2S)-4-oxo-2-phenyl-4-(2,4,6-trimethylanilino)butanoic acid
CID 40808566
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-N,2-N,3-N-tris(2,3,4,5,6-pentafluorophenyl)propane-1,2,3-tricarboxamide
CID 88545240
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
(2S)-4-oxo-2-(prop-2-enylamino)-4-(2,4,6-trimethylanilino)butanoic acid
CID 7592075
2-cyano-N-(2,4,6-trimethylphenyl)propanamide
CID 55207019

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide?
The IUPAC name of 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide (CID 67992232) is 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide.
What is the SMILES notation for 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide?
The canonical SMILES for 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide is Cc1cc(C)c(NC(=O)CC(CC(=O)Nc2c(C)cc(C)cc2C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide?
The InChIKey is UCHRMLNTMBNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O3/c1-18-10-21(4)30(22(5)11-18)34-28(37)16-27(33(39)36-32-25(8)14-20(3)15-26(32)9)17-29(38)35-31-23(6)12-19(2)13-24(31)7/h10-15,27H,16-17H2,1-9H3,(H,34,37)(H,35,38)(H,36,39).
What are the key properties of 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide?
1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide has a molecular weight of 527.71 g/mol, XLogP of 7.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide is sourced from PubChem (CID 67992232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).