1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide

C48H62N4O4 — CID 67992353

IUPAC1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(C(=O)Nc2ccc(C(C)(C)C)cc2)C(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C48H62N4O4/c1-45(2,3)31-13-21-35(22-14-31)49-41(53)29-39(43(55)51-37-25-17-33(18-26-37)47(7,8)9)40(44(56)52-38-27-19-34(20-28-38)48(10,11)12)30-42(54)50-36-23-15-32(16-24-36)46(4,5)6/h13-28,39-40H,29-30H2,1-12H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyHGQJBUGOJIBVAZ-UHFFFAOYSA-N
MW759.05 g/mol
LogP10.74
Rot. Bonds11

About 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide

1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide (PubChem CID 67992353) has the molecular formula C48H62N4O4 and a molecular weight of 759.05 g/mol. Its IUPAC name is 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide
PubChem CID67992353
Molecular FormulaC48H62N4O4
Molecular Weight759.05 g/mol
Exact Mass758.48
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(C(=O)Nc2ccc(C(C)(C)C)cc2)C(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C48H62N4O4/c1-45(2,3)31-13-21-35(22-14-31)49-41(53)29-39(43(55)51-37-25-17-33(18-26-37)47(7,8)9)40(44(56)52-38-27-19-34(20-28-38)48(10,11)12)30-42(54)50-36-23-15-32(16-24-36)46(4,5)6/h13-28,39-40H,29-30H2,1-12H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyHGQJBUGOJIBVAZ-UHFFFAOYSA-N
XLogP10.74
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.05
LogP ≤ 510.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide with MolForge

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Related Compounds

5-(4-tert-butylanilino)-3-methyl-5-oxopentanoic acid
CID 62965373
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2S)-N-(4-tert-butylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8779811
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide (CID 67992353) is 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide is CC(C)(C)c1ccc(NC(=O)CC(C(=O)Nc2ccc(C(C)(C)C)cc2)C(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is HGQJBUGOJIBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H62N4O4/c1-45(2,3)31-13-21-35(22-14-31)49-41(53)29-39(43(55)51-37-25-17-33(18-26-37)47(7,8)9)40(44(56)52-38-27-19-34(20-28-38)48(10,11)12)30-42(54)50-36-23-15-32(16-24-36)46(4,5)6/h13-28,39-40H,29-30H2,1-12H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56).
What are the key properties of 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 759.05 g/mol, XLogP of 10.74, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,4-N-tetrakis(4-tert-butylphenyl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 67992353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).