1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide

C33H33N3O3 — CID 67992311

IUPAC1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
SMILESCCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(CC)c3)cc(C(=O)Nc3cccc(CC)c3)c2)c1
InChIInChI=1S/C33H33N3O3/c1-4-22-10-7-13-28(16-22)34-31(37)25-19-26(32(38)35-29-14-8-11-23(5-2)17-29)21-27(20-25)33(39)36-30-15-9-12-24(6-3)18-30/h7-21H,4-6H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
InChIKeyYPMQLTCYGOLTEI-UHFFFAOYSA-N
MW519.65 g/mol
LogP7.13
Rot. Bonds9

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

1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide (PubChem CID 67992311) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
PubChem CID67992311
Molecular FormulaC33H33N3O3
Molecular Weight519.65 g/mol
Exact Mass519.25
IUPAC Name1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
SMILESCCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(CC)c3)cc(C(=O)Nc3cccc(CC)c3)c2)c1
InChIInChI=1S/C33H33N3O3/c1-4-22-10-7-13-28(16-22)34-31(37)25-19-26(32(38)35-29-14-8-11-23(5-2)17-29)21-27(20-25)33(39)36-30-15-9-12-24(6-3)18-30/h7-21H,4-6H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
InChIKeyYPMQLTCYGOLTEI-UHFFFAOYSA-N
XLogP7.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
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CID 2591482
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CID 26880057
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
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N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 139482087
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide (CID 67992311) is 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide is CCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(CC)c3)cc(C(=O)Nc3cccc(CC)c3)c2)c1.
What is the InChIKey of 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide?
The InChIKey is YPMQLTCYGOLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c1-4-22-10-7-13-28(16-22)34-31(37)25-19-26(32(38)35-29-14-8-11-23(5-2)17-29)21-27(20-25)33(39)36-30-15-9-12-24(6-3)18-30/h7-21H,4-6H2,1-3H3,(H,34,37)(H,35,38)(H,36,39).
What are the key properties of 1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide has a molecular weight of 519.65 g/mol, XLogP of 7.13, 9 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(3-ethylphenyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 67992311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).