1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide

C21H33N3O3 — CID 141065547

IUPAC1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NC(C)(C)C)c1C(=O)NC(C)(C)C
InChIInChI=1S/C21H33N3O3/c1-19(2,3)22-16(25)13-11-10-12-14(17(26)23-20(4,5)6)15(13)18(27)24-21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyGJFVLHLQUKKBDI-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.27
Rot. Bonds3

About 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide

1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide (PubChem CID 141065547) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
PubChem CID141065547
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NC(C)(C)C)c1C(=O)NC(C)(C)C
InChIInChI=1S/C21H33N3O3/c1-19(2,3)22-16(25)13-11-10-12-14(17(26)23-20(4,5)6)15(13)18(27)24-21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyGJFVLHLQUKKBDI-UHFFFAOYSA-N
XLogP3.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-2-hydroxybenzamide
CID 139189948
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
3-[3-(tert-butylcarbamoyl)-2-methylphenyl]prop-2-enoic acid
CID 77073031
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
CID 41448856

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide?
The IUPAC name of 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide (CID 141065547) is 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide.
What is the SMILES notation for 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide?
The canonical SMILES for 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NC(C)(C)C)c1C(=O)NC(C)(C)C.
What is the InChIKey of 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide?
The InChIKey is GJFVLHLQUKKBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-19(2,3)22-16(25)13-11-10-12-14(17(26)23-20(4,5)6)15(13)18(27)24-21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide?
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.27, 3 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-tritert-butylbenzene-1,2,3-tricarboxamide is sourced from PubChem (CID 141065547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).