1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide

C26H42N4O4 — CID 141420303

IUPAC1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(=O)NC(C)(C)C)c(C(=O)NC(C)(C)C)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C26H42N4O4/c1-23(2,3)27-19(31)15-13-17(21(33)29-25(7,8)9)18(22(34)30-26(10,11)12)14-16(15)20(32)28-24(4,5)6/h13-14H,1-12H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyCTLYSPJWMFCQBE-UHFFFAOYSA-N
MW474.65 g/mol
LogP3.80
Rot. Bonds4

About 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide (PubChem CID 141420303) has the molecular formula C26H42N4O4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
PubChem CID141420303
Molecular FormulaC26H42N4O4
Molecular Weight474.65 g/mol
Exact Mass474.32
IUPAC Name1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
SMILESCC(C)(C)NC(=O)c1cc(C(=O)NC(C)(C)C)c(C(=O)NC(C)(C)C)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C26H42N4O4/c1-23(2,3)27-19(31)15-13-17(21(33)29-25(7,8)9)18(22(34)30-26(10,11)12)14-16(15)20(32)28-24(4,5)6/h13-14H,1-12H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyCTLYSPJWMFCQBE-UHFFFAOYSA-N
XLogP3.80
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-tritert-butyl-2-hydroxybenzene-1,3-dicarboxamide
CID 11397419
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
N-tert-butyl-2-hydroxybenzamide
CID 139189948
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
9,10-bis(tert-butylcarbamoyl)perylene-3,4-dicarboxylic acid
CID 87756017

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide?
The IUPAC name of 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide (CID 141420303) is 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide?
The canonical SMILES for 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide is CC(C)(C)NC(=O)c1cc(C(=O)NC(C)(C)C)c(C(=O)NC(C)(C)C)cc1C(=O)NC(C)(C)C.
What is the InChIKey of 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide?
The InChIKey is CTLYSPJWMFCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O4/c1-23(2,3)27-19(31)15-13-17(21(33)29-25(7,8)9)18(22(34)30-26(10,11)12)14-16(15)20(32)28-24(4,5)6/h13-14H,1-12H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34).
What are the key properties of 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide?
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide has a molecular weight of 474.65 g/mol, XLogP of 3.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide is sourced from PubChem (CID 141420303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).