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

C48H62N4O4 — CID 67992243

IUPAC1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide
SMILESCCCCc1ccccc1NC(=O)CC(C(=O)Nc1ccccc1CCCC)C(CC(=O)Nc1ccccc1CCCC)C(=O)Nc1ccccc1CCCC
InChIInChI=1S/C48H62N4O4/c1-5-9-21-35-25-13-17-29-41(35)49-45(53)33-39(47(55)51-43-31-19-15-27-37(43)23-11-7-3)40(48(56)52-44-32-20-16-28-38(44)24-12-8-4)34-46(54)50-42-30-18-14-26-36(42)22-10-6-2/h13-20,25-32,39-40H,5-12,21-24,33-34H2,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyORNUVKMSBORXHE-UHFFFAOYSA-N
MW759.05 g/mol
LogP10.92
Rot. Bonds23

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

1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide (PubChem CID 67992243) 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(2-butylphenyl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide
PubChem CID67992243
Molecular FormulaC48H62N4O4
Molecular Weight759.05 g/mol
Exact Mass758.48
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide
SMILESCCCCc1ccccc1NC(=O)CC(C(=O)Nc1ccccc1CCCC)C(CC(=O)Nc1ccccc1CCCC)C(=O)Nc1ccccc1CCCC
InChIInChI=1S/C48H62N4O4/c1-5-9-21-35-25-13-17-29-41(35)49-45(53)33-39(47(55)51-43-31-19-15-27-37(43)23-11-7-3)40(48(56)52-44-32-20-16-28-38(44)24-12-8-4)34-46(54)50-42-30-18-14-26-36(42)22-10-6-2/h13-20,25-32,39-40H,5-12,21-24,33-34H2,1-4H3,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyORNUVKMSBORXHE-UHFFFAOYSA-N
XLogP10.92
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.05
LogP ≤ 510.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylphenyl)-2-chloroacetamide
CID 150293597
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
(2-heptadecylphenyl)carbamic acid
CID 71374202
(2-pentylphenyl)carbamothioic S-acid
CID 87699926
N-(2-ethylphenyl)undecanamide
CID 5078439
zinc bis(N-(2-butylphenyl)carbamodithioate)
CID 87339212
N-(2-ethylphenyl)heptanamide
CID 4582103
(2-butylphenyl)carbamodithioic acid;tungsten
CID 174689067
2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110178593
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
N-(2-tridecylphenyl)prop-2-enamide
CID 175316873

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide (CID 67992243) is 1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide is CCCCc1ccccc1NC(=O)CC(C(=O)Nc1ccccc1CCCC)C(CC(=O)Nc1ccccc1CCCC)C(=O)Nc1ccccc1CCCC.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is ORNUVKMSBORXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H62N4O4/c1-5-9-21-35-25-13-17-29-41(35)49-45(53)33-39(47(55)51-43-31-19-15-27-37(43)23-11-7-3)40(48(56)52-44-32-20-16-28-38(44)24-12-8-4)34-46(54)50-42-30-18-14-26-36(42)22-10-6-2/h13-20,25-32,39-40H,5-12,21-24,33-34H2,1-4H3,(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(2-butylphenyl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 759.05 g/mol, XLogP of 10.92, 23 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(2-butylphenyl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 67992243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).